CAS 1023307-69-8

1,3-Dimethyl-1H-1,2,4-triazole-5-carboxylic acid

Description:

1,3-Dimethyl-1H-1,2,4-triazole-5-carboxylic acid is a heterocyclic organic compound characterized by its triazole ring structure, which contains nitrogen atoms that contribute to its unique chemical properties. This compound features two methyl groups attached to the triazole ring and a carboxylic acid functional group, which enhances its solubility in polar solvents and contributes to its acidity. It is often utilized in various fields, including pharmaceuticals and agrochemicals, due to its potential biological activity and ability to act as a building block in the synthesis of more complex molecules. The presence of the carboxylic acid group allows for potential interactions with biological targets, making it of interest in medicinal chemistry. Additionally, the compound's stability and reactivity can be influenced by the electronic effects of the methyl groups and the triazole ring, which may affect its behavior in different chemical environments. Overall, 1,3-Dimethyl-1H-1,2,4-triazole-5-carboxylic acid is a versatile compound with significant implications in research and application.

Formula: C₅H₇N₃O₂

InChI: InChI=1S/C5H7N3O2/c1-3-6-4(5(9)10)8(2)7-3/h1-2H3,(H,9,10)

InChI key: InChIKey=WAFNNEWIBWZAJA-UHFFFAOYSA-N

SMILES: C(O)(=O)C1=NC(C)=NN1C

Synonyms:

• 1H-1,2,4-Triazole-5-carboxylic acid, 1,3-dimethyl-
• 1,3-Dimethyl-1H-1,2,4-triazole-5-carboxylic acid