![4-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-5-carbonitrile structure](/static/products/102/1020252-27-0.webp)
4-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-5-carbonitrile
TL;DR: 4-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-5-carbonitrile (CAS 1020252-27-0) is a chemical compound with molecular formula C10H5F3N4O and molecular weight 254.04155 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-[4-(trifluoromethoxy)phenyl]-2H-triazole-4-carbonitrile
Also Known As: 4-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-5-carbonitrile, 5-[4-(trifluoromethoxy)phenyl]-2H-triazole-4-carbonitrile, 4-(4-(TRIFLUOROMETHOXY)PHENYL)-1H-1,2,3-TRIAZOLE-5-CARBONITRILE, 5-[4-(trifluoromethoxy)phenyl]-2H-1,2,3-triazole-4-carbonitrile
Technical Specifications
| Molecular Formula | C10H5F3N4O |
| Molecular Weight | 254.04155 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 74.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 254.04155 Da |
| Heavy Atoms | 18 |
| Complexity | 332.0 |
| SMILES | C1=CC(=CC=C1C2=NNN=C2C#N)OC(F)(F)F |
| InChIKey | GLNYPPNRVOBEBG-UHFFFAOYSA-N |
Chemical Property Profile of 4-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-5-carbonitrile
Property Insights of 4-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-5-carbonitrile
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-5-carbonitrile. The TPSA of 74.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-5-carbonitrile. Following Lipinski's Rule of Five, 4-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-5-carbonitrile has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-5-carbonitrile?
The CAS number of 4-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-5-carbonitrile is 1020252-27-0.
What is the molecular formula of 4-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-5-carbonitrile?
The molecular formula of 4-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-5-carbonitrile is C10H5F3N4O.
What is the molecular weight of 4-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-5-carbonitrile?
The molecular weight of 4-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-5-carbonitrile is 254.04155 g/mol.
Where can I buy 4-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-5-carbonitrile?
You can request a quote for 4-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-5-carbonitrile directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-5-carbonitrile?
Yes, CoreyChem provides custom synthesis services for 4-[4-(trifluoromethoxy)phenyl]-1H-1,2,3-triazole-5-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.