5-amino-1-(4-fluorophenyl)-1H-1,2,3-triazole-4-carboxamide
TL;DR: 5-amino-1-(4-fluorophenyl)-1H-1,2,3-triazole-4-carboxamide (CAS 606135-57-3) is a chemical compound with molecular formula C9H8FN5O and molecular weight 221.07129 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-amino-1-(4-fluorophenyl)triazole-4-carboxamide
Also Known As: 5-amino-1-(4-fluorophenyl)-1H-1,2,3-triazole-4-carboxamide, 5-amino-1-(4-fluorophenyl)triazole-4-carboxamide, 1H-1,2,3-Triazole-4-carboxamide, 5-amino-1-(4-fluorophenyl)-, 5-amino-1-(4-fluorophenyl)-1,2,3-triazole-4-carboxamide, F2147-0339
Technical Specifications
| Molecular Formula | C9H8FN5O |
| Molecular Weight | 221.07129 g/mol |
| XLogP | 0.9 |
| Topological Polar Surface Area (TPSA) | 99.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.07129 Da |
| Heavy Atoms | 16 |
| Complexity | 269.0 |
| SMILES | C1=CC(=CC=C1N2C(=C(N=N2)C(=O)N)N)F |
| InChIKey | QMJUTLYVBPCPJS-UHFFFAOYSA-N |
Chemical Property Profile of 5-amino-1-(4-fluorophenyl)-1H-1,2,3-triazole-4-carboxamide
Property Insights of 5-amino-1-(4-fluorophenyl)-1H-1,2,3-triazole-4-carboxamide
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-amino-1-(4-fluorophenyl)-1H-1,2,3-triazole-4-carboxamide. The TPSA of 99.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-amino-1-(4-fluorophenyl)-1H-1,2,3-triazole-4-carboxamide. Following Lipinski's Rule of Five, 5-amino-1-(4-fluorophenyl)-1H-1,2,3-triazole-4-carboxamide has 2 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 5-amino-1-(4-fluorophenyl)-1H-1,2,3-triazole-4-carboxamide?
The CAS number of 5-amino-1-(4-fluorophenyl)-1H-1,2,3-triazole-4-carboxamide is 606135-57-3.
What is the molecular formula of 5-amino-1-(4-fluorophenyl)-1H-1,2,3-triazole-4-carboxamide?
The molecular formula of 5-amino-1-(4-fluorophenyl)-1H-1,2,3-triazole-4-carboxamide is C9H8FN5O.
What is the molecular weight of 5-amino-1-(4-fluorophenyl)-1H-1,2,3-triazole-4-carboxamide?
The molecular weight of 5-amino-1-(4-fluorophenyl)-1H-1,2,3-triazole-4-carboxamide is 221.07129 g/mol.
Where can I buy 5-amino-1-(4-fluorophenyl)-1H-1,2,3-triazole-4-carboxamide?
You can request a quote for 5-amino-1-(4-fluorophenyl)-1H-1,2,3-triazole-4-carboxamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-amino-1-(4-fluorophenyl)-1H-1,2,3-triazole-4-carboxamide?
Yes, CoreyChem provides custom synthesis services for 5-amino-1-(4-fluorophenyl)-1H-1,2,3-triazole-4-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.