5-methyl-1-(4-nitrophenyl)-N-phenyl-1H-1,2,4-triazole-3-carboxamide
TL;DR: 5-methyl-1-(4-nitrophenyl)-N-phenyl-1H-1,2,4-triazole-3-carboxamide (CAS 321431-07-6) is a chemical compound with molecular formula C16H13N5O3 and molecular weight 323.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-1-(4-nitrophenyl)-N-phenyl-1,2,4-triazole-3-carboxamide
Also Known As: 1H-312S, 5-methyl-1-(4-nitrophenyl)-N-phenyl-1H-1,2,4-triazole-3-carboxamide, 5-methyl-1-(4-nitrophenyl)-N-phenyl-1,2,4-triazole-3-carboxamide
| Molecular Formula | C16H13N5O3 |
|---|---|
| Molecular Weight | 323.10 g/mol |
| LogP | 2.73622 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 323.10184 |
| Heavy Atoms | 24 |
| Complexity | 887.8362 |
Chemical Identifiers
| CAS Number | 321431-07-6 |
|---|---|
| SMILES | CC1=NC(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=CC=CC=C3 |
Product Overview
5-methyl-1-(4-nitrophenyl)-N-phenyl-1H-1,2,4-triazole-3-carboxamide (CAS 321431-07-6), with molecular formula C16H13N5O3 and molecular weight 323.10 g/mol. IUPAC: 5-methyl-1-(4-nitrophenyl)-N-phenyl-1,2,4-triazole-3-carboxamide.
Chemical Property Profile of 5-methyl-1-(4-nitrophenyl)-N-phenyl-1H-1,2,4-triazole-3-carboxamide
Property Insights of 5-methyl-1-(4-nitrophenyl)-N-phenyl-1H-1,2,4-triazole-3-carboxamide
The XLogP value of 2.73622 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-methyl-1-(4-nitrophenyl)-N-phenyl-1H-1,2,4-triazole-3-carboxamide. The TPSA of 102.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-methyl-1-(4-nitrophenyl)-N-phenyl-1H-1,2,4-triazole-3-carboxamide. Following Lipinski's Rule of Five, 5-methyl-1-(4-nitrophenyl)-N-phenyl-1H-1,2,4-triazole-3-carboxamide 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
Frequently Asked Questions
What is the CAS number of 5-methyl-1-(4-nitrophenyl)-N-phenyl-1H-1,2,4-triazole-3-carboxamide?
The CAS number of 5-methyl-1-(4-nitrophenyl)-N-phenyl-1H-1,2,4-triazole-3-carboxamide is 321431-07-6.
What is the molecular formula of 5-methyl-1-(4-nitrophenyl)-N-phenyl-1H-1,2,4-triazole-3-carboxamide?
The molecular formula of 5-methyl-1-(4-nitrophenyl)-N-phenyl-1H-1,2,4-triazole-3-carboxamide is C16H13N5O3.
What is the molecular weight of 5-methyl-1-(4-nitrophenyl)-N-phenyl-1H-1,2,4-triazole-3-carboxamide?
The molecular weight of 5-methyl-1-(4-nitrophenyl)-N-phenyl-1H-1,2,4-triazole-3-carboxamide is 323.10 g/mol.
Where can I buy 5-methyl-1-(4-nitrophenyl)-N-phenyl-1H-1,2,4-triazole-3-carboxamide?
You can request a quote for 5-methyl-1-(4-nitrophenyl)-N-phenyl-1H-1,2,4-triazole-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-methyl-1-(4-nitrophenyl)-N-phenyl-1H-1,2,4-triazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-methyl-1-(4-nitrophenyl)-N-phenyl-1H-1,2,4-triazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.