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CAS 335255-80-6

:

3-(4H-1,2,4-triazol-4-yl)benzoic acid

Description:
3-(4H-1,2,4-triazol-4-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. The benzoic acid moiety provides acidity due to the carboxylic acid group (-COOH), which can participate in hydrogen bonding and influence solubility and reactivity. This compound is often studied for its potential applications in pharmaceuticals, particularly as an antifungal or antibacterial agent, due to the presence of the triazole ring, which is known for its ability to inhibit certain enzymes in pathogens. Additionally, its structural characteristics may allow for interactions with various biological targets, making it of interest in medicinal chemistry. The compound is typically solid at room temperature and may exhibit moderate solubility in polar solvents. Its properties can be influenced by factors such as pH and the presence of other functional groups in formulations.
Formula:C9H7N3O2
InChI:InChI=1/C9H7N3O2/c13-9(14)7-2-1-3-8(4-7)12-5-10-11-6-12/h1-6H,(H,13,14)
SMILES:c1cc(cc(c1)n1cnnc1)C(=O)O
Synonyms:
  • benzoic acid, 3-(4H-1,2,4-triazol-4-yl)-
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