CAS 876715-40-1

4-(1H-1,2,4-triazol-5-yl)benzoic acid

Description:

4-(1H-1,2,4-triazol-5-yl)benzoic acid is an organic compound characterized by its triazole and benzoic acid functional groups. It features a triazole ring, which is a five-membered heterocyclic structure containing three nitrogen atoms, contributing to its potential biological activity and ability to form coordination complexes. The benzoic acid moiety provides acidity due to the carboxylic acid group, which can participate in hydrogen bonding and influence solubility and reactivity. This compound is often studied for its applications in pharmaceuticals, particularly as a potential antifungal or antibacterial agent, due to the presence of the triazole ring, which is known for its efficacy in these areas. Additionally, its structural characteristics may allow for interactions with various biological targets, making it a subject of interest in medicinal chemistry. The compound's solubility, stability, and reactivity can vary based on environmental conditions, such as pH and temperature, which are important considerations in its practical applications.

Formula: C₉H₇N₃O₂

InChI: InChI=1/C9H7N3O2/c13-9(14)7-3-1-6(2-4-7)8-10-5-11-12-8/h1-5H,(H,13,14)(H,10,11,12)

SMILES: c1cc(ccc1c1nc[nH]n1)C(=O)O

4-(1H-1,2,4-Triazol-5-yl)benzoic acid

CAS: 876715-40-1

Formula: C₉H₇N₃O₂

Purity: %

Molecular weight: 189.1708

Ref: IN-DA004KH7

4-(2H-[1,2,4]Triazol-3-yl)-benzoic acid

CAS: 876715-40-1

Formula: C₉H₇N₃O₂

Purity: 95.0%

Color and Shape: Solid, Powder

Molecular weight: 189.174

Ref: 10-F058873

4-(2H-[1,2,4]Triazol-3-yl)-benzoic acid

CAS: 876715-40-1

Versatile small molecule scaffold

Formula: C₉H₇N₃O₂

Purity: Min. 95%

Molecular weight: 189.17 g/mol

Ref: 3D-BKB71540