![N-[[3-(Trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole-1-acetamide structure](/static/products/6729/672950-16-2.webp)
N-[[3-(Trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole-1-acetamide
TL;DR: N-[[3-(Trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole-1-acetamide (CAS 672950-16-2) is a chemical compound with molecular formula C12H11F3N4O and molecular weight 284.09 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)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide
Also Known As: 2-(1H-1,2,4-triazol-1-yl)-N-[3-(trifluoromethyl)benzyl]acetamide, 2-(1,2,4-triazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide, 2-(1H-1,2,4-triazol-1-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide, N-[[3-(Trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole-1-acetamide, 2-(1,2,4-triazol-1-yl)-N-{[3-(trifluoromethyl)phenyl]methyl}acetamide
| Molecular Formula | C12H11F3N4O |
|---|---|
| Molecular Weight | 284.09 g/mol |
| LogP | 1.6133 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 284.0885 |
| Heavy Atoms | 20 |
| Complexity | 580.6384 |
Chemical Identifiers
| CAS Number | 672950-16-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)CNC(=O)CN2C=NC=N2 |
Product Overview
N-[[3-(Trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole-1-acetamide (CAS 672950-16-2), with molecular formula C12H11F3N4O and molecular weight 284.09 g/mol. IUPAC: 2-(1,2,4-triazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]acetamide.
Chemical Property Profile of N-[[3-(Trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole-1-acetamide
Property Insights of N-[[3-(Trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole-1-acetamide
The XLogP value of 1.6133 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[[3-(Trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole-1-acetamide. With a topological polar surface area (TPSA) of 59.81 Ų, N-[[3-(Trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole-1-acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[[3-(Trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole-1-acetamide 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-[[3-(Trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole-1-acetamide?
The CAS number of N-[[3-(Trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole-1-acetamide is 672950-16-2.
What is the molecular formula of N-[[3-(Trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole-1-acetamide?
The molecular formula of N-[[3-(Trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole-1-acetamide is C12H11F3N4O.
What is the molecular weight of N-[[3-(Trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole-1-acetamide?
The molecular weight of N-[[3-(Trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole-1-acetamide is 284.09 g/mol.
Where can I buy N-[[3-(Trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole-1-acetamide?
You can request a quote for N-[[3-(Trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole-1-acetamide 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]methyl]-1H-1,2,4-triazole-1-acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[[3-(Trifluoromethyl)phenyl]methyl]-1H-1,2,4-triazole-1-acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.