![5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylic acid structure](/static/products/1030/103058-77-1.webp)
5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylic acid
TL;DR: 5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylic acid (CAS 103058-77-1) is a chemical compound with molecular formula C11H8F3N3O2 and molecular weight 271.05685 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylic acid
Also Known As: 5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylic acid, 1H-326S, 5-methyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carboxylic Acid, BB 0239033, I14-15491
Technical Specifications
| Molecular Formula | C11H8F3N3O2 |
| Molecular Weight | 271.05685 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 68.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 271.05685 Da |
| Heavy Atoms | 19 |
| Complexity | 351.0 |
| SMILES | CC1=NC(=NN1C2=CC=CC(=C2)C(F)(F)F)C(=O)O |
| InChIKey | KYNHXXIWJLMWTB-UHFFFAOYSA-N |
Chemical Property Profile of 5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylic acid
Property Insights of 5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylic acid. The TPSA of 68.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylic acid. Following Lipinski's Rule of Five, 5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylic acid 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 5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylic acid?
The CAS number of 5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylic acid is 103058-77-1.
What is the molecular formula of 5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylic acid?
The molecular formula of 5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylic acid is C11H8F3N3O2.
What is the molecular weight of 5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylic acid?
The molecular weight of 5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylic acid is 271.05685 g/mol.
Where can I buy 5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylic acid?
You can request a quote for 5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 5-methyl-1-[3-(trifluoromethyl)phenyl]-1H-1,2,4-triazole-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.