CAS 143426-48-6
:Ethyl 4-(1H-1,2,4-triazol-1-yl)benzoate
Description:
Ethyl 4-(1H-1,2,4-triazol-1-yl)benzoate is an organic compound characterized by its ester functional group and the presence of a triazole ring, which contributes to its biological activity. The compound features an ethyl group attached to a benzoate moiety, with a triazole substituent at the para position of the aromatic ring. This structure imparts unique chemical properties, including potential solubility in organic solvents and moderate polarity. Ethyl 4-(1H-1,2,4-triazol-1-yl)benzoate is of interest in various fields, particularly in medicinal chemistry, due to its potential as a pharmacophore in drug development. The triazole ring is known for its role in enhancing the bioactivity of compounds, often exhibiting antifungal, antibacterial, or anticancer properties. Additionally, the compound may participate in hydrogen bonding and other intermolecular interactions, influencing its reactivity and stability. Overall, its distinctive structure and functional groups make it a valuable compound for research and application in chemical and pharmaceutical sciences.
Formula:C11H11N3O2
InChI:InChI=1/C11H11N3O2/c1-2-16-11(15)9-3-5-10(6-4-9)14-8-12-7-13-14/h3-8H,2H2,1H3
InChI key:InChIKey=KDJUAOCGUGUBIN-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=CC=C(C=C1)N2C=NC=N2
Synonyms:- Benzoic acid, 4-(1H-1,2,4-triazol-1-yl)-, ethyl ester
- Ethyl 4-(1H-1,2,4-triazol-1-yl)benzoate
- Ethyl 4-(1,2,4-Triazol-1-yl)benzoate
- Ethyl 4-(1H-1,2,4-triazol-1-yl)
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