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CAS 57031-66-0

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1H-1,2,4-Triazole-3-carboxylic acid, 1-methyl-, methyl ester

Description:
1H-1,2,4-Triazole-3-carboxylic acid, 1-methyl-, methyl ester, identified by CAS number 57031-66-0, is a chemical compound characterized by its triazole ring structure, which is a five-membered heterocyclic compound containing three nitrogen atoms. This substance features a carboxylic acid functional group that has been esterified with a methyl group, contributing to its solubility and reactivity. It is typically a white to off-white solid and is soluble in polar solvents such as methanol and ethanol. The presence of the triazole moiety suggests potential applications in pharmaceuticals, particularly as a building block in the synthesis of various bioactive compounds. Additionally, the compound may exhibit antifungal or herbicidal properties, making it of interest in agricultural chemistry. Its stability and reactivity can be influenced by the surrounding pH and the presence of other functional groups, which is important for its application in synthetic chemistry and medicinal research.
Formula:C5H7N3O2
InChI:InChI=1S/C5H7N3O2/c1-8-3-6-4(7-8)5(9)10-2/h3H,1-2H3
InChI key:InChIKey=NKPPQSVPTZHGMA-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=NN(C)C=N1
Synonyms:
  • 1H-1,2,4-Triazole-3-carboxylic acid, 1-methyl-, methyl ester
  • Methyl 1-methyl-1H-1,2,4-triazole-3-carboxylate
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