![4-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-5-carbonitrile structure](/static/products/104/1047724-33-3.png)
4-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-5-carbonitrile
TL;DR: 4-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-5-carbonitrile (CAS 1047724-33-3) is a chemical compound with molecular formula C10H5F3N4 and molecular weight 238.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[3-(trifluoromethyl)phenyl]-2H-triazole-4-carbonitrile
Also Known As: 4-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-5-carbonitrile, 5-[3-(trifluoromethyl)phenyl]-2H-triazole-4-carbonitrile, 4-(3-(TRIFLUOROMETHYL)PHENYL)-1H-1,2,3-TRIAZOLE-5-CARBONITRILE, 5-[3-(trifluoromethyl)phenyl]-2H-1,2,3-triazole-4-carbonitrile
| Molecular Formula | C10H5F3N4 |
|---|---|
| Molecular Weight | 238.05 g/mol |
| LogP | 2.36218 |
| Topological Polar Surface Area | 65.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 238.04663 |
| Heavy Atoms | 17 |
| Complexity | 579.72235 |
Chemical Identifiers
| CAS Number | 1047724-33-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C2=NNN=C2C#N |
Product Overview
4-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-5-carbonitrile (CAS 1047724-33-3), with molecular formula C10H5F3N4 and molecular weight 238.05 g/mol. IUPAC: 5-[3-(trifluoromethyl)phenyl]-2H-triazole-4-carbonitrile.
Chemical Property Profile of 4-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-5-carbonitrile
Property Insights of 4-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-5-carbonitrile
The XLogP value of 2.36218 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-5-carbonitrile. The TPSA of 65.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-5-carbonitrile. Following Lipinski's Rule of Five, 4-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-5-carbonitrile 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 4-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-5-carbonitrile?
The CAS number of 4-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-5-carbonitrile is 1047724-33-3.
What is the molecular formula of 4-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-5-carbonitrile?
The molecular formula of 4-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-5-carbonitrile is C10H5F3N4.
What is the molecular weight of 4-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-5-carbonitrile?
The molecular weight of 4-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-5-carbonitrile is 238.05 g/mol.
Where can I buy 4-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-5-carbonitrile?
You can request a quote for 4-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-5-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-5-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 4-[3-(trifluoromethyl)phenyl]-1H-1,2,3-triazole-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.