CAS 714568-70-4

4-(4H-1,2,4-Triazol-4-yl)benzeneethanamine

Description:

4-(4H-1,2,4-Triazol-4-yl)benzeneethanamine, with the CAS number 714568-70-4, is a chemical compound characterized by its triazole and amine functional groups. This compound features a benzene ring substituted with an ethylamine group and a triazole moiety, which contributes to its potential biological activity. The presence of the triazole ring suggests that it may exhibit properties such as antifungal or antimicrobial activity, as triazoles are commonly found in pharmaceuticals targeting these areas. The amine group can participate in hydrogen bonding, enhancing its solubility and reactivity in various chemical environments. Additionally, the compound's structure may allow for interactions with 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 to confirm its purity and structural integrity. Overall, this compound represents a class of heterocyclic compounds with potential applications in drug development and other fields of chemistry.

Formula: C₁₀H₁₂N₄

InChI: InChI=1S/C10H12N4/c11-6-5-9-1-3-10(4-2-9)14-7-12-13-8-14/h1-4,7-8H,5-6,11H2

InChI key: InChIKey=RFVLUEHMLQTRRC-UHFFFAOYSA-N

SMILES: C(CN)C1=CC=C(C=C1)N2C=NN=C2

Synonyms:

• 4-(4H-1,2,4-Triazol-4-yl)benzeneethanamine
• Benzeneethanamine, 4-(4H-1,2,4-triazol-4-yl)-
• 2-[4-(4H-1,2,4-Triazol-4-yl)phenyl]ethanamine
• 2-[4-(4H-1,2,4-Triazol-4-yl)phenyl]ethan-1-amine

2-[4-(4H-1,2,4-Triazol-4-yl)phenyl]ethan-1-amine

CAS: 714568-70-4

Versatile small molecule scaffold

Formula: C₁₀H₁₂N₄

Purity: Min. 95%

Molecular weight: 188.23 g/mol

Ref: 3D-PDB56870