CAS 1000574-75-3

1,1-Dimethylethyl 2,5-dihydro-1-(4-methylphenyl)-5-oxo-1H-1,2,4-triazole-3-carboxylate

Description:

1,1-Dimethylethyl 2,5-dihydro-1-(4-methylphenyl)-5-oxo-1H-1,2,4-triazole-3-carboxylate, with the CAS number 1000574-75-3, is a chemical compound characterized by its triazole ring structure, which is a five-membered heterocyclic compound containing three nitrogen atoms. This substance typically exhibits properties associated with triazoles, such as potential biological activity, making it of interest in pharmaceutical and agricultural applications. The presence of the 4-methylphenyl group suggests that it may have specific interactions with biological targets, potentially influencing its efficacy and selectivity. The ester functional group in the carboxylate moiety can enhance solubility and reactivity, which may be beneficial for its application in various chemical reactions or formulations. Additionally, the dimethyl substituents contribute to steric hindrance, which can affect the compound's reactivity and interaction with other molecules. Overall, this compound's unique structural features may confer specific properties that are valuable in research and development contexts.

Formula: C₁₄H₁₇N₃O₃

InChI: InChI=1S/C14H17N3O3/c1-9-5-7-10(8-6-9)17-13(19)15-11(16-17)12(18)20-14(2,3)4/h5-8H,1-4H3,(H,15,16,19)

InChI key: InChIKey=YCDVPAVISFXYGH-UHFFFAOYSA-N

SMILES: O=C1N(N=C(C(OC(C)(C)C)=O)N1)C2=CC=C(C)C=C2

Synonyms:

• 1H-1,2,4-Triazole-3-carboxylic acid, 2,5-dihydro-1-(4-methylphenyl)-5-oxo-, 1,1-dimethylethyl ester
• 1,1-Dimethylethyl 2,5-dihydro-1-(4-methylphenyl)-5-oxo-1H-1,2,4-triazole-3-carboxylate