SDS of cas: 1671-88-1. Aromatic compounds can be divided into two categories: single heterocycles and fused heterocycles. Compound: 3,5-Di(pyridin-2-yl)-4H-1,2,4-triazol-4-amine, is researched, Molecular C12H10N6, CAS is 1671-88-1, about LR model of the inhibition mechanism of steel in HCl by triazole and oxadiazole derivatives: structure-activity correlations. Author is Bentiss, F.; Traisnel, M.; Vezin, H.; Lagrenee, M..
A quantum chem. study of the corrosion inhibition efficiency of triazole and oxadiazole derivatives, at the mild steel electrode, in molar hydrochloric acid (1M HCl) was carried out. The correlation between the mol. structure and inhibition efficiency of these heterocyclic compounds was investigated using a linear model encompassing the charge transfer resistance (Rt). The linear resistance model (LR) was optimized with the semiempirical quant. structure activity relationships (QSAR) approach. Regression equations, with multiple correlation coefficients superior at 0.90, were derived between 1/Rt and mol. descriptors. These significant correlations indicated that the variation of the corrosion inhibition with the structure of the inhibitors may be explained in terms of electronic properties.
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Reference:
Isoquinoline – Wikipedia,
Isoquinoline | C9H7N – PubChem