![2-{5-oxo-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetonitrile structure](/static/products/3433/343373-32-0.webp)
2-{5-oxo-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetonitrile
TL;DR: 2-{5-oxo-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetonitrile (CAS 343373-32-0) is a chemical compound with molecular formula C11H7F3N4O and molecular weight 268.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[5-oxo-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]acetonitrile
Also Known As: 2-{5-oxo-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetonitrile, 6N-019, 2-[5-oxo-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]acetonitrile, 2-{5-oxo-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl}acetonitrile
| Molecular Formula | C11H7F3N4O |
|---|---|
| Molecular Weight | 268.06 g/mol |
| LogP | 1.57638 |
| Topological Polar Surface Area | 63.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 268.0572 |
| Heavy Atoms | 19 |
| Complexity | 692.94147 |
Chemical Identifiers
| CAS Number | 343373-32-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)N2C=NN(C2=O)CC#N)C(F)(F)F |
Product Overview
2-{5-oxo-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetonitrile (CAS 343373-32-0), with molecular formula C11H7F3N4O and molecular weight 268.06 g/mol. IUPAC: 2-[5-oxo-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]acetonitrile.
Chemical Property Profile of 2-{5-oxo-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetonitrile
Property Insights of 2-{5-oxo-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetonitrile
The XLogP value of 1.57638 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{5-oxo-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetonitrile. The TPSA of 63.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{5-oxo-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetonitrile. Following Lipinski's Rule of Five, 2-{5-oxo-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetonitrile has 0 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-{5-oxo-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetonitrile?
The CAS number of 2-{5-oxo-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetonitrile is 343373-32-0.
What is the molecular formula of 2-{5-oxo-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetonitrile?
The molecular formula of 2-{5-oxo-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetonitrile is C11H7F3N4O.
What is the molecular weight of 2-{5-oxo-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetonitrile?
The molecular weight of 2-{5-oxo-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetonitrile is 268.06 g/mol.
Where can I buy 2-{5-oxo-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetonitrile?
You can request a quote for 2-{5-oxo-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{5-oxo-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-{5-oxo-4-[3-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-1-yl}acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.