![1-[3-(trifluoromethyl)benzyl]-1H-1,2,4-triazol-3-amine structure](/static/products/832/832740-44-0.png)
1-[3-(trifluoromethyl)benzyl]-1H-1,2,4-triazol-3-amine
TL;DR: 1-[3-(trifluoromethyl)benzyl]-1H-1,2,4-triazol-3-amine (CAS 832740-44-0) is a chemical compound with molecular formula C10H9F3N4 and molecular weight 242.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-amine
Also Known As: 1-[3-(trifluoromethyl)benzyl]-1H-1,2,4-triazol-3-amine, 1-(3-Trifluoromethyl-benzyl)-1H-[1,2,4]triazol-3-ylamine, 1-{[3-(trifluoromethyl)phenyl]methyl}-1H-1,2,4-triazol-3-amine, 1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-amine, 1H-1,2,4-Triazol-3-amine, 1-[[3-(trifluoromethyl)phenyl]methyl]-
| Molecular Formula | C10H9F3N4 |
|---|---|
| Molecular Weight | 242.08 g/mol |
| LogP | 1.9274 |
| Topological Polar Surface Area | 56.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.07793 |
| Heavy Atoms | 17 |
| Complexity | 518.2647 |
Chemical Identifiers
| CAS Number | 832740-44-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)CN2C=NC(=N2)N |
Product Overview
1-[3-(trifluoromethyl)benzyl]-1H-1,2,4-triazol-3-amine (CAS 832740-44-0), with molecular formula C10H9F3N4 and molecular weight 242.08 g/mol. IUPAC: 1-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-3-amine.
Chemical Property Profile of 1-[3-(trifluoromethyl)benzyl]-1H-1,2,4-triazol-3-amine
Property Insights of 1-[3-(trifluoromethyl)benzyl]-1H-1,2,4-triazol-3-amine
The XLogP value of 1.9274 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[3-(trifluoromethyl)benzyl]-1H-1,2,4-triazol-3-amine. With a topological polar surface area (TPSA) of 56.73 Ų, 1-[3-(trifluoromethyl)benzyl]-1H-1,2,4-triazol-3-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-[3-(trifluoromethyl)benzyl]-1H-1,2,4-triazol-3-amine has 1 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 1-[3-(trifluoromethyl)benzyl]-1H-1,2,4-triazol-3-amine?
The CAS number of 1-[3-(trifluoromethyl)benzyl]-1H-1,2,4-triazol-3-amine is 832740-44-0.
What is the molecular formula of 1-[3-(trifluoromethyl)benzyl]-1H-1,2,4-triazol-3-amine?
The molecular formula of 1-[3-(trifluoromethyl)benzyl]-1H-1,2,4-triazol-3-amine is C10H9F3N4.
What is the molecular weight of 1-[3-(trifluoromethyl)benzyl]-1H-1,2,4-triazol-3-amine?
The molecular weight of 1-[3-(trifluoromethyl)benzyl]-1H-1,2,4-triazol-3-amine is 242.08 g/mol.
Where can I buy 1-[3-(trifluoromethyl)benzyl]-1H-1,2,4-triazol-3-amine?
You can request a quote for 1-[3-(trifluoromethyl)benzyl]-1H-1,2,4-triazol-3-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[3-(trifluoromethyl)benzyl]-1H-1,2,4-triazol-3-amine?
Yes, KEHONG BIO provides custom synthesis services for 1-[3-(trifluoromethyl)benzyl]-1H-1,2,4-triazol-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.