Category: 1455-77-2

Wu, Bo published the artcileNew Energetic Ionic Derivatives of Symmetric 4,6-Dihydrazinium-1,3,5-Triazine-2-One Cation with Low Impact and Friction Sensitivities, COA of Formula: C2H5N5, the main research area is dihydrazino triazineone based energetic salt synthesis thermal stability friction.

A facile synthetic protocol was developed to synthesize unique energetic salts based on 4,6-dihydrazino-1,3,5-triazine-2-one in good to high yield from com. sources. The process was found to be practical and easily scalable. The resulting energetic compounds show good to excellent thermal stability with decomposition temperatures ranging from 180 °C to 331 °C. They possess low sensitivity to impact and friction (IS>20 J, FS>360 N), as well as pos. enthalpy of formation (148.9∼1381.7 kJ mol-1). Their detonation velocity (VD) values locate between 8301 m s-1 and 9282 m s-1, and detonation pressure (P) values range from 26.1 GPa to 37.2 GPa, in some cases, which are comparable to those of HMX. From the view of sensitivity and energy level, some of the energetic compounds prepared in this work exhibit potential as insensitive excellent performance energetic materials.

Propellants, Explosives, Pyrotechnics published new progress about Crystal structure. 1455-77-2 belongs to class isoquinoline, name is 3,5-Diamino-1,2,4-triazole, and the molecular formula is C2H5N5, COA of Formula: C2H5N5.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Yang, Rui published the artcileHigh-density 1,3,4-oxadiazole nitrate and its salts as new melt-casting explosive materials, Product Details of C2H5N5, the main research area is oxadiazole nitrate salt melt casting explosive.

D. is one of the important parameters of energetic materials. A class of high-d. energetic materials was synthesized by a simple method, and all compounds were characterized by NMR, IR, and DSC, and the structures of some compounds were analyzed using single-crystal X-ray diffraction. (5-nitroimino-4-hydro-1,3,4-oxadiazol-2-yl)methyl nitrate () () showed an outstanding d. of 1.898 g/cm3 at 149 K. and the densities of the other compounds exceeded 1.76 g/cm3 at room temperature Thermal anal. showed that (5-nitroimino-4-hydro-1,3,4-oxadiazol-2-yl)methyl nitrate () and 4-amino-1,2,4-triazolium(5-nitroimino-4-hydro-1,3,4-oxadiazol-2-yl) Me nitrate () have suitable m.ps. (86.67°C and 85.65°C) for use as casting materials. The detonation velocity and detonation pressure were calculated by EXPLO5 (v6.01) software, and all compounds showed good explosive performance. The detonation velocity of compound 5-aminotetrazolium (5-nitroimino-4-hydro-1,3,4-oxadiazol-2-yl)methyl nitrate () exceeded that of RDX, but was slightly lower than that of HMX, reaching 9142 m/s. In summary, this series of 1,3,4-oxadiazole-based energetic materials has enriched the family of molten cast carriers and provided new options for the preparation of molten cast explosives.

Journal of Energetic Materials published new progress about Crystal structure. 1455-77-2 belongs to class isoquinoline, name is 3,5-Diamino-1,2,4-triazole, and the molecular formula is C2H5N5, Product Details of C2H5N5.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Zhu, Jiaxing published the artcileCobalt substitution in a flexible metal-organic framework: modulating a soft paddle-wheel unit for tunable gate-opening adsorption, Computed Properties of 1455-77-2, the main research area is cobalt zinc biphenyltetracarboxylate aminotriazole MOF complex preparation gas adsorption; crystal structure cobalt zinc biphenyltetracarboxylate aminotriazole MOF.

Developing feasible ways to achieve tunable gate-opening pressure (Pgo) while minimizing the side effects on the adsorption capacity and enthalpy is greatly desired for flexible MOFs. In this work, we focused on solving this issue by cobalt substitution. We showed the successful modulation of the energy required for the reversible transformation of a soft paddle-wheel so that the whole framework presented a substitution-dependent Pgo for CO2 adsorption.

Dalton Transactions published new progress about Crystal structure. 1455-77-2 belongs to class isoquinoline, name is 3,5-Diamino-1,2,4-triazole, and the molecular formula is C2H5N5, Computed Properties of 1455-77-2.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Zhu, Jiaxing published the artcileCobalt substitution in a flexible metal-organic framework: modulating a soft paddle-wheel unit for tunable gate-opening adsorption, Product Details of C2H5N5, the main research area is cobalt zinc biphenyltetracarboxylate aminotriazole MOF complex preparation gas adsorption; crystal structure cobalt zinc biphenyltetracarboxylate aminotriazole MOF.

Developing feasible ways to achieve tunable gate-opening pressure (Pgo) while minimizing the side effects on the adsorption capacity and enthalpy is greatly desired for flexible MOFs. In this work, we focused on solving this issue by cobalt substitution. We showed the successful modulation of the energy required for the reversible transformation of a soft paddle-wheel so that the whole framework presented a substitution-dependent Pgo for CO2 adsorption.

Dalton Transactions published new progress about Crystal structure. 1455-77-2 belongs to class isoquinoline, name is 3,5-Diamino-1,2,4-triazole, and the molecular formula is C2H5N5, Product Details of C2H5N5.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Xie, Zhen-Lang published the artcileSuccessive constructions of regular tetra-, hexa- and octanuclear microporous polyoxovanadates(III) for gas adsorption, Recommanded Product: 3,5-Diamino-1,2,4-triazole, the main research area is vanadium hydroxide oxalate pyrazole triazolediamine complex preparation gas adsorption; crystal structure vanadium hydroxide oxalate pyrazole triazolediamine complex.

Pyrazole-assisted tetranuclear microporous polyoxovanadates(III) (POVs) (NH4)2K2[V4(μ2-OH)4(ox)4(pz)4]·9H2O (1) (ox = oxalate and pz = pyrazole) and (NH4)2Na2[V4(μ2-OH)4(ox)4(4-mpz)4]·7H2O (2) (4-mpz = 4-methylpyrazole) have been constructed in reduced media, along with their triazole neutral hexa- and octanuclear products K2[V6(μ2-OH)6(ox)6(Hdatrz)6]Cl2·29.5H2O (3) and [V8(μ2-OH)8(SO3)8(Hdatrz)8]·38H2O (4) (Hdatrz = 1H-1,2,4-triazole-3,5-diamine) successively. Both polyanionic structures of 1 and 2 share similar inorganic building blocks that consist of regular {V4(μ2-OH)4} skeletons with an inner diameter of 2.8 Å, while a paddle wheel-shaped cluster 3 contains a {V6(μ2-OH)6} skeleton with two chlorides encapsulated around the center of the ring, occupying a hole of 3.7 Å. An interesting isolated intrinsic polyoxometalate-based metal-organic framework (POMOF) 4 exists as an octanuclear petaloid-like skeleton {V8(μ2-OH)8(SO3)8} with an inner diameter of 5.2 Å. Bond valence sum calculations manifest that all V ions have severely reduced +3 oxidation states in 1-4, which are supported by charge balance, structural and magnetic data. Moreover, gas adsorptions indicate that 1, 2 and 4 can adsorb CO2 and O2 more favorably than N2, CH4 and H2 gases. Compared with 1 and 2, due to the functionalization of microchannels with Lewis base amino and hydroxy groups and uncoordinated azolate N-donors inside POMOF 4, it should have notable affinities toward CO2 adsorption.

Dalton Transactions published new progress about Crystal structure. 1455-77-2 belongs to class isoquinoline, name is 3,5-Diamino-1,2,4-triazole, and the molecular formula is C2H5N5, Recommanded Product: 3,5-Diamino-1,2,4-triazole.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Smetana, Volodymyr published the artcileSynthesis of Anhydrous Acetates for the Components of Nuclear Fuel Recycling in Dialkylimidazolium Acetate Ionic Liquids, Recommanded Product: 3,5-Diamino-1,2,4-triazole, the main research area is dialkylimidazolium uranium lanthanide strontium oxo acetate complex preparation; crystal structure dialkylimidazolium uranium lanthanide strontium oxo acetate complex.

Anhydrous acetate salts with uranium {[C2C1i.m.][UO2(OAc)3] (1), [C2C2i.m.][UO2(OAc)3] (2), and [C4C1i.m.][UO2(OAc)3] (3)}, lanthanides {[C2C2i.m.]2[La(OAc)5] (4) and [C2C1i.m.]2[Nd(OAc)5] (5)}, and strontium {[C2C1i.m.]n[Sr(OAc)3]n (6)} (C2C1i.m. = 1-ethyl-3-methylimidazolium, C2C2i.m. = 1,3-diethylimidazolium, C4C1i.m. = 1-butyl-3-methylimidazolium, and OAc = acetate) were prepared and structurally characterized. Both lanthanides and strontium are common components of the nuclear fuel waste, and their separation from uranium is an important but still challenging task. A new synthetic approach with dialkylimidazolium acetate ionic liquids (ILs) as the solvent was developed for the direct synthesis of homoleptic acetates from the corresponding hydrates and, unexpectedly, hardly soluble f-element oxides. Although the group of characterized compounds shows perfect structural variability, all actinide and lanthanide metal ions form monomeric complex anions where the metal cation coordinates to five ligands including two oxygen atoms in the case of uranium, as is commonly observed for uranyl compounds Crystallog. analyses revealed that [UO2(OAc)3]- anions possess rather standard D3h symmetry featuring a hexagonal-bipyramidal coordination environment, while the lanthanide anions [Ln(OAc)5]2- are fully asym. and the Ln3+ cations are 10-coordinated as a distorted bicapped tetragonal antiprism. This is the 1st report of lanthanide ions coordinated in this fashion. For Sr2+, 9-fold coordination through oxygen atoms as a strongly distorted tricapped trigonal prism is observed The crystallization of anhydrous, homoleptic, anionic acetate complexes from such a large variety of different metal salts appears to be due to the properties of dialkylimidazolium acetate ILs themselves, including enhanced basicity from the high concentration of free anions and their greater affinity for hydrogen-bonding solutes relative to metal cations. The direct reaction of uranium, selected lanthanides, and strontium salt hydrates with dialkylimidazolium acetate ionic liquids gives anhydrous metal acetates under ambient conditions. This route allows also direct dissolution of the corresponding metal oxides and isolation of homoleptic metal complexes in the presence of various competing ligands. The crystal structure analyses reveal unique coordination of the lanthanides in analogy with the uranyl complexes and significantly distinct behavior of Sr2+.

Inorganic Chemistry published new progress about Crystal structure. 1455-77-2 belongs to class isoquinoline, name is 3,5-Diamino-1,2,4-triazole, and the molecular formula is C2H5N5, Recommanded Product: 3,5-Diamino-1,2,4-triazole.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Alyahya, Mashael Y. published the artcileReplication stress induced by the ribonucleotide reductase inhibitor guanazole, triapine and gemcitabine in fission yeast, Application of 3,5-Diamino-1,2,4-triazole, the main research area is S. pombe ; Cds1; Chk1; Rad3; gemcitabine; genome stability; guanazole; hydroxyurea; oxidative stress; ribonucleotide reductase; the DNA replication checkpoint; triapine.

Schizosaccharomyces pombe is an established yeast model for studying the cellular mechanisms conserved in humans, such as the DNA replication checkpoint. The replication checkpoint deals with replication stress caused by numerous endogenous and exogenous factors that perturb fork movement. If undealt with, perturbed forks collapse, causing chromosomal DNA damage or cell death. Hydroxyurea (HU) is an inhibitor of ribonucleotide reductase (RNR) commonly used in checkpoint studies. It produces replication stress by depleting dNTPs, which slows the movement of ongoing forks and thus activates the replication checkpoint. However, HU also causes side effects such as oxidative stress, particularly under chronic exposure conditions, which complicates the studies. To find a drug that generates replication stress more specifically, we tested three other RNR inhibitors gemcitabine, guanazole and triapine in S. pombe under various exptl. conditions. Our results show that guanazole and triapine can produce replication stress more specifically than HU under chronic, not acute drug treatment conditions. Therefore, using the two drugs in spot assay, the method commonly used for testing drug sensitivity in yeasts, should benefit the checkpoint studies in S. pombe and likely the research in other model systems.

FEMS Yeast Research published new progress about S. pombe ; Cds1; Chk1; Rad3; gemcitabine; genome stability; guanazole; hydroxyurea; oxidative stress; ribonucleotide reductase; the DNA replication checkpoint; triapine. 1455-77-2 belongs to class isoquinoline, name is 3,5-Diamino-1,2,4-triazole, and the molecular formula is C2H5N5, Application of 3,5-Diamino-1,2,4-triazole.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Alyahya, Mashael Y. published the artcileReplication stress induced by the ribonucleotide reductase inhibitor guanazole, triapine and gemcitabine in fission yeast, HPLC of Formula: 1455-77-2, the main research area is S. pombe ; Cds1; Chk1; Rad3; gemcitabine; genome stability; guanazole; hydroxyurea; oxidative stress; ribonucleotide reductase; the DNA replication checkpoint; triapine.

Schizosaccharomyces pombe is an established yeast model for studying the cellular mechanisms conserved in humans, such as the DNA replication checkpoint. The replication checkpoint deals with replication stress caused by numerous endogenous and exogenous factors that perturb fork movement. If undealt with, perturbed forks collapse, causing chromosomal DNA damage or cell death. Hydroxyurea (HU) is an inhibitor of ribonucleotide reductase (RNR) commonly used in checkpoint studies. It produces replication stress by depleting dNTPs, which slows the movement of ongoing forks and thus activates the replication checkpoint. However, HU also causes side effects such as oxidative stress, particularly under chronic exposure conditions, which complicates the studies. To find a drug that generates replication stress more specifically, we tested three other RNR inhibitors gemcitabine, guanazole and triapine in S. pombe under various exptl. conditions. Our results show that guanazole and triapine can produce replication stress more specifically than HU under chronic, not acute drug treatment conditions. Therefore, using the two drugs in spot assay, the method commonly used for testing drug sensitivity in yeasts, should benefit the checkpoint studies in S. pombe and likely the research in other model systems.

FEMS Yeast Research published new progress about S. pombe ; Cds1; Chk1; Rad3; gemcitabine; genome stability; guanazole; hydroxyurea; oxidative stress; ribonucleotide reductase; the DNA replication checkpoint; triapine. 1455-77-2 belongs to class isoquinoline, name is 3,5-Diamino-1,2,4-triazole, and the molecular formula is C2H5N5, HPLC of Formula: 1455-77-2.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Glorian, Julien published the artcileHeat of Formation of Triazole-Based Salts: Prediction and Experimental Validation, Category: isoquinoline, the main research area is triazole salt heat formation physicochem property.

This work contributes to the growing interest in predictions linked with energetic salts. A reliable method to accurately compute the heat of formation of triazole-based salts was investigated. Calculations were based on Born-Haber energy cycles: gas-phase enthalpy of ions and lattice enthalpy were calculated sep. Ten triazole-based salts were synthesized and fully characterized. Their heat of combustion was measured by bomb calorimeter. Gas-phase heat of formation of cations and anions were computed at four different levels of theory: B3LYP 6-31G(d,p), CBS-4M, CBS-QB3, and G4. Ionic volumes were calculated at the B3LYP 6-31G(d,p) level with and without corrections. Lattice enthalpy estimations, based on calculated ionic volumes, were performed with the help of Jenkins and Gutowski methods. Combinations of the obtained results (gas-phase enthalpy of ions and lattice enthalpy) were used in the Born-Haber approach to predict solid phase enthalpy of formation of studied energetic salts. Direct comparison with exptl. measurements enabled the identification of the most reliable path for energetic salt standard enthalpy of formation prediction.

Propellants, Explosives, Pyrotechnics published new progress about Anions. 1455-77-2 belongs to class isoquinoline, name is 3,5-Diamino-1,2,4-triazole, and the molecular formula is C2H5N5, Category: isoquinoline.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem

Glorian, Julien published the artcileHeat of Formation of Triazole-Based Salts: Prediction and Experimental Validation, Formula: C2H5N5, the main research area is triazole salt heat formation physicochem property.

This work contributes to the growing interest in predictions linked with energetic salts. A reliable method to accurately compute the heat of formation of triazole-based salts was investigated. Calculations were based on Born-Haber energy cycles: gas-phase enthalpy of ions and lattice enthalpy were calculated sep. Ten triazole-based salts were synthesized and fully characterized. Their heat of combustion was measured by bomb calorimeter. Gas-phase heat of formation of cations and anions were computed at four different levels of theory: B3LYP 6-31G(d,p), CBS-4M, CBS-QB3, and G4. Ionic volumes were calculated at the B3LYP 6-31G(d,p) level with and without corrections. Lattice enthalpy estimations, based on calculated ionic volumes, were performed with the help of Jenkins and Gutowski methods. Combinations of the obtained results (gas-phase enthalpy of ions and lattice enthalpy) were used in the Born-Haber approach to predict solid phase enthalpy of formation of studied energetic salts. Direct comparison with exptl. measurements enabled the identification of the most reliable path for energetic salt standard enthalpy of formation prediction.

Propellants, Explosives, Pyrotechnics published new progress about Anions. 1455-77-2 belongs to class isoquinoline, name is 3,5-Diamino-1,2,4-triazole, and the molecular formula is C2H5N5, Formula: C2H5N5.

Referemce:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem