CAS 883290-90-2

Ethyl 5-(3-pyridinyl)-1H-1,2,4-triazole-3-acetate

Description:

Ethyl 5-(3-pyridinyl)-1H-1,2,4-triazole-3-acetate, identified by its CAS number 883290-90-2, 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 pyridine ring, contributing to its aromatic properties and potential biological activity. The presence of the ethyl acetate moiety suggests it may exhibit moderate lipophilicity, influencing its solubility and permeability in biological systems. The triazole ring is known for its role in various pharmacological applications, including antifungal and antimicrobial activities. Additionally, the compound's structure may allow for interactions with specific biological targets, making it of interest in medicinal chemistry. Its synthesis typically involves multi-step organic reactions, and it may be characterized using techniques such as NMR spectroscopy, mass spectrometry, and elemental analysis. As with many chemical substances, safety and handling precautions should be observed, given the potential for toxicity or reactivity.

Formula: C₁₁H₁₂N₄O₂

InChI: InChI=1S/C11H12N4O2/c1-2-17-10(16)6-9-13-11(15-14-9)8-4-3-5-12-7-8/h3-5,7H,2,6H2,1H3,(H,13,14,15)

InChI key: InChIKey=JYEVIOYHVMLURW-UHFFFAOYSA-N

SMILES: C(C(OCC)=O)C=1NC(=NN1)C=2C=CC=NC2

Synonyms:

• (5-Pyridin-3-yl-2H-[1,2,4]triazol-3-yl)-acetic acid ethyl ester
• Ethyl 5-(3-pyridinyl)-1H-1,2,4-triazole-3-acetate
• 1H-1,2,4-Triazole-3-acetic acid, 5-(3-pyridinyl)-, ethyl ester