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CAS 1443981-85-8

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

Description:
4-(1-Methyl-1H-1,2,4-triazol-3-yl)benzoic acid, with the CAS number 1443981-85-8, is a chemical compound characterized by its unique structure that combines a benzoic acid moiety with a triazole ring. This compound typically exhibits properties such as being a solid at room temperature, with potential solubility in polar solvents due to the presence of the carboxylic acid functional group. The triazole ring contributes to its potential biological activity, making it of interest in pharmaceutical research, particularly in the development of antifungal agents and other therapeutic applications. Its molecular structure allows for various interactions, including hydrogen bonding and π-π stacking, which can influence its reactivity and stability. Additionally, the presence of the methyl group on the triazole ring may affect its lipophilicity and overall pharmacokinetic properties. Overall, this compound represents a class of heterocyclic compounds that are valuable in medicinal chemistry and material science.
Formula:C10H9N3O2
InChI:InChI=1S/C10H9N3O2/c1-13-6-11-9(12-13)7-2-4-8(5-3-7)10(14)15/h2-6H,1H3,(H,14,15)
InChI key:InChIKey=HBJHBZNXCOTWIO-UHFFFAOYSA-N
SMILES:CN1N=C(C2=CC=C(C(O)=O)C=C2)N=C1
Synonyms:
  • 4-(1-Methyl-1H-1,2,4-triazol-3-yl)benzoic acid
  • Benzoic acid, 4-(1-methyl-1H-1,2,4-triazol-3-yl)-
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