CAS 1000573-68-1

Ethyl 1-(4-fluorophenyl)-2,5-dihydro-5-oxo-1H-1,2,4-triazole-3-carboxylate

Description:

Ethyl 1-(4-fluorophenyl)-2,5-dihydro-5-oxo-1H-1,2,4-triazole-3-carboxylate is a chemical compound characterized by its triazole ring structure, which is a five-membered heterocyclic compound containing three nitrogen atoms. This substance features an ethyl ester functional group, contributing to its solubility and reactivity. The presence of a 4-fluorophenyl group indicates that it has a fluorine substituent on a phenyl ring, which can influence its electronic properties and biological activity. The compound is likely to exhibit moderate to high polarity due to the carboxylate and ester functionalities, affecting its interactions in biological systems. It may also possess potential pharmacological properties, as triazole derivatives are often explored for their applications in medicinal chemistry. The compound's stability, reactivity, and potential applications can be influenced by the specific arrangement of its functional groups and the presence of the fluorine atom, which can enhance lipophilicity and alter the compound's interaction with biological targets.

Formula: C₁₁H₁₀FN₃O₃

InChI: InChI=1S/C11H10FN3O3/c1-2-18-10(16)9-13-11(17)15(14-9)8-5-3-7(12)4-6-8/h3-6H,2H2,1H3,(H,13,14,17)

InChI key: InChIKey=IKAUVQODZYXCQR-UHFFFAOYSA-N

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

Synonyms:

• 1H-1,2,4-Triazole-3-carboxylic acid, 1-(4-fluorophenyl)-2,5-dihydro-5-oxo-, ethyl ester
• Ethyl 1-(4-fluorophenyl)-2,5-dihydro-5-oxo-1H-1,2,4-triazole-3-carboxylate