CAS 952182-54-6

1-[(4-Bromophenyl)methyl]-N,5-dimethyl-1H-1,2,3-triazole-4-carboxamide

Description:

1-[(4-Bromophenyl)methyl]-N,5-dimethyl-1H-1,2,3-triazole-4-carboxamide is a chemical compound characterized by its unique triazole ring structure, which is a five-membered heterocycle containing three nitrogen atoms. This compound features a bromophenyl group, contributing to its potential biological activity and lipophilicity. The presence of the carboxamide functional group enhances its solubility in polar solvents and may influence its interaction with biological targets. The dimethyl substitution at the nitrogen atom in the triazole ring can affect the compound's steric and electronic properties, potentially impacting its reactivity and binding affinity. This compound may exhibit interesting pharmacological properties, making it a subject of interest in medicinal chemistry and drug development. Its specific characteristics, such as melting point, solubility, and spectral data, would typically be determined through experimental methods. Overall, the structural features of this compound suggest potential applications in various fields, including pharmaceuticals and agrochemicals.

Formula: C₁₂H₁₃BrN₄O

InChI: InChI=1S/C12H13BrN4O/c1-8-11(12(18)14-2)15-16-17(8)7-9-3-5-10(13)6-4-9/h3-6H,7H2,1-2H3,(H,14,18)

InChI key: InChIKey=QFGKBSRPTHJMDW-UHFFFAOYSA-N

SMILES: C(NC)(=O)C1=C(C)N(CC2=CC=C(Br)C=C2)N=N1

Synonyms:

• 1H-1,2,3-Triazole-4-carboxamide, 1-[(4-bromophenyl)methyl]-N,5-dimethyl-
• 1-[(4-Bromophenyl)methyl]-N,5-dimethyl-1H-1,2,3-triazole-4-carboxamide