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CAS 1245644-75-0

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1-(3,5-Dimethylphenyl)-1H-1,2,4-triazole-3-carboxylic acid

Description:
1-(3,5-Dimethylphenyl)-1H-1,2,4-triazole-3-carboxylic acid is a chemical compound characterized by its triazole ring, which is a five-membered heterocyclic structure containing three nitrogen atoms. This compound features a carboxylic acid functional group, contributing to its acidity and potential reactivity. The presence of the 3,5-dimethylphenyl group enhances its lipophilicity and may influence its biological activity, making it of interest in pharmaceutical research. The triazole moiety is known for its role in various biological applications, including as antifungal agents and in agricultural chemistry. The compound's molecular structure suggests it may exhibit specific interactions with biological targets, potentially leading to therapeutic effects. Its solubility, stability, and reactivity can vary based on environmental conditions, such as pH and temperature. Overall, this compound represents a class of triazole derivatives that are valuable in medicinal chemistry and agrochemicals, warranting further investigation into its properties and applications.
Formula:C11H11N3O2
InChI:InChI=1S/C11H11N3O2/c1-7-3-8(2)5-9(4-7)14-6-12-10(13-14)11(15)16/h3-6H,1-2H3,(H,15,16)
InChI key:InChIKey=TXVRZNWFBUXHPX-UHFFFAOYSA-N
SMILES:C(O)(=O)C1=NN(C=N1)C2=CC(C)=CC(C)=C2
Synonyms:
  • 1H-1,2,4-Triazole-3-carboxylic acid, 1-(3,5-dimethylphenyl)-
  • 1-(3,5-Dimethylphenyl)-1H-1,2,4-triazole-3-carboxylic acid
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