CAS 1245645-54-8
:Ethyl 1-(4-methylphenyl)-1H-1,2,4-triazole-3-carboxylate
Description:
Ethyl 1-(4-methylphenyl)-1H-1,2,4-triazole-3-carboxylate is a chemical compound characterized by its triazole ring, which is a five-membered heterocyclic structure containing three nitrogen atoms. This compound features an ethyl ester functional group, contributing to its solubility and reactivity. The presence of the 4-methylphenyl group indicates that it has a substituted aromatic ring, which can influence its electronic properties and interactions with biological targets. Typically, compounds of this nature may exhibit biological activity, making them of interest in pharmaceutical research, particularly in the development of agrochemicals or pharmaceuticals. The triazole moiety is known for its role in various applications, including as antifungal agents. The compound's molecular structure suggests potential for hydrogen bonding and other intermolecular interactions, which can affect its physical properties such as melting point, boiling point, and solubility. Overall, this compound's unique structural features contribute to its potential utility in various chemical and biological applications.
Formula:C12H13N3O2
InChI:InChI=1S/C12H13N3O2/c1-3-17-12(16)11-13-8-15(14-11)10-6-4-9(2)5-7-10/h4-8H,3H2,1-2H3
InChI key:InChIKey=SMHFRCKSQJFNKL-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C1=NN(C=N1)C2=CC=C(C)C=C2
Synonyms:- 1H-1,2,4-Triazole-3-carboxylic acid, 1-(4-methylphenyl)-, ethyl ester
- Ethyl 1-(4-methylphenyl)-1H-1,2,4-triazole-3-carboxylate
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