CAS 890093-89-7

Ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-ethyl-1H-1,2,3-triazole-4-carboxylate

Description:

Ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-ethyl-1H-1,2,3-triazole-4-carboxylate is a chemical compound characterized by its complex structure, which includes both triazole and oxadiazole moieties. This compound typically exhibits properties such as being a solid at room temperature, with potential solubility in polar organic solvents due to the presence of functional groups. The presence of the amino group suggests it may participate in hydrogen bonding, influencing its reactivity and interactions with other molecules. Its triazole and oxadiazole rings contribute to its potential biological activity, making it of interest in medicinal chemistry, particularly for applications in pharmaceuticals or agrochemicals. The ethyl ester functional group may also enhance its lipophilicity, affecting its absorption and distribution in biological systems. Overall, this compound's unique structural features position it as a candidate for further research in various chemical and biological applications.

Formula: C₉H₁₂N₆O₃

InChI: InChI=1S/C9H12N6O3/c1-3-5-6(9(16)17-4-2)11-14-15(5)8-7(10)12-18-13-8/h3-4H2,1-2H3,(H2,10,12)

InChI key: InChIKey=DJARTFOWJAPNSO-UHFFFAOYSA-N

SMILES: C(C)C=1N(N=NC1C(OCC)=O)C=2C(N)=NON2

Synonyms:

• Ethyl 1-(4-amino(1,2,5-oxadiazol-3-yl))-5-ethyl-1,2,3-triazole-4-carboxylate
• Ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-ethyl-1H-1,2,3-triazole-4-carboxylate
• 1H-1,2,3-Triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-ethyl-, ethyl ester
• 1-(4-Amino-furazan-3-yl)-5-ethyl-1H-[1,2,3]triazole-4-carboxylic acid ethyl ester