![N-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-amine structure](/static/products/4778/477851-98-2.webp)
N-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-amine
TL;DR: N-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-amine (CAS 477851-98-2) is a chemical compound with molecular formula C9H7F3N4 and molecular weight 228.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-amine
Also Known As: Bionet2_001442, N-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-amine, 11D-079, N-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-3-amine, 1H-1,2,4-Triazol-5-amine, N-[3-(trifluoromethyl)phenyl]-
| Molecular Formula | C9H7F3N4 |
|---|---|
| Molecular Weight | 228.06 g/mol |
| LogP | 2.5671 |
| Topological Polar Surface Area | 53.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 228.06229 |
| Heavy Atoms | 16 |
| Complexity | 463.85638 |
Chemical Identifiers
| CAS Number | 477851-98-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)NC2=NC=NN2)C(F)(F)F |
Product Overview
N-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-amine (CAS 477851-98-2), with molecular formula C9H7F3N4 and molecular weight 228.06 g/mol. IUPAC: N-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-amine.
Chemical Property Profile of N-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-amine
Property Insights of N-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-amine
The XLogP value of 2.5671 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-amine. With a topological polar surface area (TPSA) of 53.6 Ų, N-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-amine has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-amine?
The CAS number of N-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-amine is 477851-98-2.
What is the molecular formula of N-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-amine?
The molecular formula of N-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-amine is C9H7F3N4.
What is the molecular weight of N-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-amine?
The molecular weight of N-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-amine is 228.06 g/mol.
Where can I buy N-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-amine?
You can request a quote for N-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for N-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.