CAS 1609406-60-1

Benzenamine, 3-(3-methyl-1H-1,2,4-triazol-5-yl)-, hydrate (1:1)

Description:

Benzenamine, 3-(3-methyl-1H-1,2,4-triazol-5-yl)-, hydrate (1:1), with the CAS number 1609406-60-1, is a chemical compound characterized by its structure, which includes a benzene ring substituted with an amine group and a triazole moiety. The presence of the 3-methyl-1H-1,2,4-triazol-5-yl group indicates that it possesses both aromatic and heterocyclic characteristics, contributing to its potential reactivity and biological activity. As a hydrate, it contains water molecules in its crystalline form, which can influence its solubility and stability. This compound may exhibit properties typical of both amines and triazoles, such as basicity and the ability to form hydrogen bonds. Its applications could span various fields, including pharmaceuticals and agrochemicals, where triazole derivatives are often explored for their fungicidal and antimicrobial properties. Understanding its characteristics, including solubility, melting point, and reactivity, is essential for its practical applications and handling in laboratory settings.

Formula: C₉H₁₀N₄·H₂O

InChI: InChI=1S/C9H10N4.H2O/c1-6-11-9(13-12-6)7-3-2-4-8(10)5-7;/h2-5H,10H2,1H3,(H,11,12,13);1H2

InChI key: InChIKey=WNNZJFVNICBRSG-UHFFFAOYSA-N

SMILES: NC=1C=C(C=CC1)C2=NN=C(C)N2.O

Synonyms:

• Benzenamine, 3-(3-methyl-1H-1,2,4-triazol-5-yl)-, hydrate (1:1)