![N-[2-(trifluoromethyl)benzyl]-4H-1,2,4-triazol-4-amine structure](/static/products/894/894758-09-9.png)
N-[2-(trifluoromethyl)benzyl]-4H-1,2,4-triazol-4-amine
TL;DR: N-[2-(trifluoromethyl)benzyl]-4H-1,2,4-triazol-4-amine (CAS 894758-09-9) 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.
N-[[2-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-4-amine
Also Known As: N-[2-(trifluoromethyl)benzyl]-4H-1,2,4-triazol-4-amine, AN-465/43384115, N-[[2-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-4-amine, N-(4H-1,2,4-triazol-4-yl)-N-[2-(trifluoromethyl)benzyl]amine
| Molecular Formula | C10H9F3N4 |
|---|---|
| Molecular Weight | 242.08 g/mol |
| LogP | 2.0406 |
| Topological Polar Surface Area | 42.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 242.07793 |
| Heavy Atoms | 17 |
| Complexity | 478.54626 |
Chemical Identifiers
| CAS Number | 894758-09-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CNN2C=NN=C2)C(F)(F)F |
Product Overview
N-[2-(trifluoromethyl)benzyl]-4H-1,2,4-triazol-4-amine (CAS 894758-09-9), with molecular formula C10H9F3N4 and molecular weight 242.08 g/mol. IUPAC: N-[[2-(trifluoromethyl)phenyl]methyl]-1,2,4-triazol-4-amine.
Chemical Property Profile of N-[2-(trifluoromethyl)benzyl]-4H-1,2,4-triazol-4-amine
Property Insights of N-[2-(trifluoromethyl)benzyl]-4H-1,2,4-triazol-4-amine
The XLogP value of 2.0406 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[2-(trifluoromethyl)benzyl]-4H-1,2,4-triazol-4-amine. With a topological polar surface area (TPSA) of 42.74 Ų, N-[2-(trifluoromethyl)benzyl]-4H-1,2,4-triazol-4-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[2-(trifluoromethyl)benzyl]-4H-1,2,4-triazol-4-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 N-[2-(trifluoromethyl)benzyl]-4H-1,2,4-triazol-4-amine?
The CAS number of N-[2-(trifluoromethyl)benzyl]-4H-1,2,4-triazol-4-amine is 894758-09-9.
What is the molecular formula of N-[2-(trifluoromethyl)benzyl]-4H-1,2,4-triazol-4-amine?
The molecular formula of N-[2-(trifluoromethyl)benzyl]-4H-1,2,4-triazol-4-amine is C10H9F3N4.
What is the molecular weight of N-[2-(trifluoromethyl)benzyl]-4H-1,2,4-triazol-4-amine?
The molecular weight of N-[2-(trifluoromethyl)benzyl]-4H-1,2,4-triazol-4-amine is 242.08 g/mol.
Where can I buy N-[2-(trifluoromethyl)benzyl]-4H-1,2,4-triazol-4-amine?
You can request a quote for N-[2-(trifluoromethyl)benzyl]-4H-1,2,4-triazol-4-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[2-(trifluoromethyl)benzyl]-4H-1,2,4-triazol-4-amine?
Yes, KEHONG BIO provides custom synthesis services for N-[2-(trifluoromethyl)benzyl]-4H-1,2,4-triazol-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.