![4-[4-(trifluoromethoxy)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one structure](/static/products/1554/155431-35-9.webp)
4-[4-(trifluoromethoxy)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
TL;DR: 4-[4-(trifluoromethoxy)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 155431-35-9) is a chemical compound with molecular formula C9H6F3N3O2 and molecular weight 245.04121 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-5-one
Also Known As: 4-[4-(trifluoromethoxy)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one, 4-[4-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-5-one, 4-(4-(Trifluoromethoxy)phenyl)-1H-1,2,4-triazol-5(4H)-one, 6N-083, 4-[4-(trifluoromethoxy)phenyl]-4,5-dihydro-1H-1,2,4-triazol-5-one
Technical Specifications
| Molecular Formula | C9H6F3N3O2 |
| Molecular Weight | 245.04121 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 53.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 245.04121 Da |
| Heavy Atoms | 17 |
| Complexity | 324.0 |
| SMILES | C1=CC(=CC=C1N2C=NNC2=O)OC(F)(F)F |
| InChIKey | CSKHWBXGLJOXIO-UHFFFAOYSA-N |
Chemical Property Profile of 4-[4-(trifluoromethoxy)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Property Insights of 4-[4-(trifluoromethoxy)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[4-(trifluoromethoxy)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one. With a topological polar surface area (TPSA) of 53.9 Ų, 4-[4-(trifluoromethoxy)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[4-(trifluoromethoxy)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one has 1 hydrogen bond donor(s) and 6 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]-2,4-dihydro-3H-1,2,4-triazol-3-one?
The CAS number of 4-[4-(trifluoromethoxy)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one is 155431-35-9.
What is the molecular formula of 4-[4-(trifluoromethoxy)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one?
The molecular formula of 4-[4-(trifluoromethoxy)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one is C9H6F3N3O2.
What is the molecular weight of 4-[4-(trifluoromethoxy)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one?
The molecular weight of 4-[4-(trifluoromethoxy)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one is 245.04121 g/mol.
Where can I buy 4-[4-(trifluoromethoxy)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one?
You can request a quote for 4-[4-(trifluoromethoxy)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-[4-(trifluoromethoxy)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one?
Yes, CoreyChem provides custom synthesis services for 4-[4-(trifluoromethoxy)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.