CAS 1245772-94-4

4-(5-Ethyl-2H-tetrazol-2-yl)benzenamine

Description:

4-(5-Ethyl-2H-tetrazol-2-yl)benzenamine, identified by its CAS number 1245772-94-4, is an organic compound characterized by the presence of a tetrazole ring and an aniline moiety. The tetrazole group contributes to its potential as a bioactive molecule, often associated with various pharmacological activities, including antimicrobial and anti-inflammatory properties. The ethyl substituent on the tetrazole ring enhances its lipophilicity, which may influence its solubility and permeability in biological systems. The compound's structure suggests it may participate in hydrogen bonding and π-π stacking interactions, which are significant in drug-receptor binding. Additionally, the presence of the amino group allows for further functionalization, making it a versatile scaffold in medicinal chemistry. Its stability and reactivity can be influenced by the electronic effects of the substituents, which may affect its overall chemical behavior. As with many nitrogen-containing heterocycles, it may also exhibit unique spectral properties, making it suitable for various analytical techniques.

Formula: C₉H₁₁N₅

InChI: InChI=1S/C9H11N5/c1-2-9-11-13-14(12-9)8-5-3-7(10)4-6-8/h3-6H,2,10H2,1H3

InChI key: InChIKey=ZMLBHJLOJXUFQC-UHFFFAOYSA-N

SMILES: C(C)C1=NN(N=N1)C2=CC=C(N)C=C2

Synonyms:

• 4-(5-Ethyl-2H-tetrazol-2-yl)benzenamine
• Benzenamine, 4-(5-ethyl-2H-tetrazol-2-yl)-