CAS 85779-74-4

Methyl 5-amino-1-(4-methoxyphenyl)-1H-1,2,3-triazole-4-carboxylate

Description:

Methyl 5-amino-1-(4-methoxyphenyl)-1H-1,2,3-triazole-4-carboxylate, with the CAS number 85779-74-4, is a chemical compound that belongs to the class of triazoles, which are five-membered heterocyclic compounds containing three nitrogen atoms. This substance features a methyl ester functional group, contributing to its solubility and reactivity. The presence of an amino group enhances its potential for biological activity, making it of interest in pharmaceutical research. The 4-methoxyphenyl substituent provides additional aromatic character, which can influence the compound's interactions and stability. Methyl 5-amino-1-(4-methoxyphenyl)-1H-1,2,3-triazole-4-carboxylate may exhibit various properties such as moderate to high polarity, depending on the functional groups present, and it may participate in hydrogen bonding due to the amino and carboxylate functionalities. Its unique structure suggests potential applications in medicinal chemistry, particularly in the development of new therapeutic agents. However, specific physical and chemical properties such as melting point, boiling point, and solubility would require empirical measurement or detailed literature references for precise values.

Formula: C₁₁H₁₂N₄O₃

InChI: InChI=1S/C11H12N4O3/c1-17-8-5-3-7(4-6-8)15-10(12)9(13-14-15)11(16)18-2/h3-6H,12H2,1-2H3

InChI key: InChIKey=PLFKTDVYHSCDFX-UHFFFAOYSA-N

SMILES: NC=1N(N=NC1C(OC)=O)C2=CC=C(OC)C=C2

Synonyms:

• Methyl 5-amino-1-(4-methoxyphenyl)-1H-1,2,3-triazole-4-carboxylate
• 1H-1,2,3-Triazole-4-carboxylic acid, 5-amino-1-(4-methoxyphenyl)-, methyl ester