![4-[2-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one structure](/static/products/1554/155432-11-4.webp)
4-[2-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
TL;DR: 4-[2-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one (CAS 155432-11-4) is a chemical compound with molecular formula C9H6F3N3O and molecular weight 229.0463 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-one
Also Known As: 4-[2-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one, 4-[2-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-one, 4-[2-(trifluoromethyl)phenyl]-4,5-dihydro-1H-1,2,4-triazol-5-one, 4-[2-(trifluoromethyl)phenyl]-2H-1,2,4-triazol-3-one, 4-(2-trifluoromethylphenyl)-3(2H,4H)-1,2,4-triazolone
Technical Specifications
| Molecular Formula | C9H6F3N3O |
| Molecular Weight | 229.0463 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 44.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 229.0463 Da |
| Heavy Atoms | 16 |
| Complexity | 316.0 |
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)N2C=NNC2=O |
| InChIKey | OLMWCLKZOUKXRQ-UHFFFAOYSA-N |
Chemical Property Profile of 4-[2-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
Property Insights of 4-[2-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[2-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one. With a topological polar surface area (TPSA) of 44.7 Ų, 4-[2-(trifluoromethyl)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-[2-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one has 1 hydrogen bond donor(s) and 5 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-[2-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one?
The CAS number of 4-[2-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one is 155432-11-4.
What is the molecular formula of 4-[2-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one?
The molecular formula of 4-[2-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one is C9H6F3N3O.
What is the molecular weight of 4-[2-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one?
The molecular weight of 4-[2-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one is 229.0463 g/mol.
Where can I buy 4-[2-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one?
You can request a quote for 4-[2-(trifluoromethyl)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-[2-(trifluoromethyl)phenyl]-2,4-dihydro-3H-1,2,4-triazol-3-one?
Yes, CoreyChem provides custom synthesis services for 4-[2-(trifluoromethyl)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.