2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)aniline
TL;DR: 2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)aniline (CAS 438019-67-1) 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.
2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)aniline
Also Known As: 2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)aniline, 2-[1,2,4]Triazol-1-yl-5-trifluoromethyl-phenylamine, 2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)aniline, IDI1_007951, Benzenamine, 2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)-
| Molecular Formula | C9H7F3N4 |
|---|---|
| Molecular Weight | 228.06 g/mol |
| LogP | 1.8683 |
| Topological Polar Surface Area | 56.73 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.06229 |
| Heavy Atoms | 16 |
| Complexity | 489.95035 |
Chemical Identifiers
| CAS Number | 438019-67-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)N)N2C=NC=N2 |
Product Overview
2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)aniline (CAS 438019-67-1), with molecular formula C9H7F3N4 and molecular weight 228.06 g/mol. IUPAC: 2-(1,2,4-triazol-1-yl)-5-(trifluoromethyl)aniline.
Chemical Property Profile of 2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)aniline
Property Insights of 2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)aniline
The XLogP value of 1.8683 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)aniline. With a topological polar surface area (TPSA) of 56.73 Ų, 2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)aniline 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 2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)aniline?
The CAS number of 2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)aniline is 438019-67-1.
What is the molecular formula of 2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)aniline?
The molecular formula of 2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)aniline is C9H7F3N4.
What is the molecular weight of 2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)aniline?
The molecular weight of 2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)aniline is 228.06 g/mol.
Where can I buy 2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)aniline?
You can request a quote for 2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)aniline?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-1,2,4-triazol-1-yl)-5-(trifluoromethyl)aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.