1H-1,2,4-triazol-5-yl-N-(4-amino-3-nitrophenyl)carboxamide
TL;DR: 1H-1,2,4-triazol-5-yl-N-(4-amino-3-nitrophenyl)carboxamide (CAS 387362-33-6) is a chemical compound with molecular formula C9H8N6O3 and molecular weight 248.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-amino-3-nitrophenyl)-1H-1,2,4-triazole-5-carboxamide
Also Known As: 1H-1,2,4-triazol-5-yl-N-(4-amino-3-nitrophenyl)carboxamide, N-(4-amino-3-nitro-phenyl)-2H-1,2,4-triazole-3-carboxamide, N-(4-amino-3-nitrophenyl)-1H-1,2,4-triazole-5-carboxamide, 1H-1,2,4-Triazole-3-carboxamide, N-(4-amino-3-nitrophenyl)- (9CI)
| Molecular Formula | C9H8N6O3 |
|---|---|
| Molecular Weight | 248.07 g/mol |
| LogP | 0.5474 |
| Topological Polar Surface Area | 139.83 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.06578 |
| Heavy Atoms | 18 |
| Complexity | 594.35535 |
Chemical Identifiers
| CAS Number | 387362-33-6 |
|---|---|
| SMILES | C1=CC(=C(C=C1NC(=O)C2=NC=NN2)[N+](=O)[O-])N |
Product Overview
1H-1,2,4-triazol-5-yl-N-(4-amino-3-nitrophenyl)carboxamide (CAS 387362-33-6), with molecular formula C9H8N6O3 and molecular weight 248.07 g/mol. IUPAC: N-(4-amino-3-nitrophenyl)-1H-1,2,4-triazole-5-carboxamide.
Chemical Property Profile of 1H-1,2,4-triazol-5-yl-N-(4-amino-3-nitrophenyl)carboxamide
Property Insights of 1H-1,2,4-triazol-5-yl-N-(4-amino-3-nitrophenyl)carboxamide
The XLogP value of 0.5474 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,2,4-triazol-5-yl-N-(4-amino-3-nitrophenyl)carboxamide. The TPSA of 139.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,2,4-triazol-5-yl-N-(4-amino-3-nitrophenyl)carboxamide. Following Lipinski's Rule of Five, 1H-1,2,4-triazol-5-yl-N-(4-amino-3-nitrophenyl)carboxamide has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1H-1,2,4-triazol-5-yl-N-(4-amino-3-nitrophenyl)carboxamide?
The CAS number of 1H-1,2,4-triazol-5-yl-N-(4-amino-3-nitrophenyl)carboxamide is 387362-33-6.
What is the molecular formula of 1H-1,2,4-triazol-5-yl-N-(4-amino-3-nitrophenyl)carboxamide?
The molecular formula of 1H-1,2,4-triazol-5-yl-N-(4-amino-3-nitrophenyl)carboxamide is C9H8N6O3.
What is the molecular weight of 1H-1,2,4-triazol-5-yl-N-(4-amino-3-nitrophenyl)carboxamide?
The molecular weight of 1H-1,2,4-triazol-5-yl-N-(4-amino-3-nitrophenyl)carboxamide is 248.07 g/mol.
Where can I buy 1H-1,2,4-triazol-5-yl-N-(4-amino-3-nitrophenyl)carboxamide?
You can request a quote for 1H-1,2,4-triazol-5-yl-N-(4-amino-3-nitrophenyl)carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,2,4-triazol-5-yl-N-(4-amino-3-nitrophenyl)carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-triazol-5-yl-N-(4-amino-3-nitrophenyl)carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.