N,5-dimethyl-1-(4-nitrophenyl)-1H-1,2,4-triazole-3-carboxamide
TL;DR: N,5-dimethyl-1-(4-nitrophenyl)-1H-1,2,4-triazole-3-carboxamide (CAS 321431-12-3) is a chemical compound with molecular formula C11H11N5O3 and molecular weight 261.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,5-dimethyl-1-(4-nitrophenyl)-1,2,4-triazole-3-carboxamide
Also Known As: N,5-dimethyl-1-(4-nitrophenyl)-1H-1,2,4-triazole-3-carboxamide, N,5-dimethyl-1-(4-nitrophenyl)-1,2,4-triazole-3-carboxamide, 5-Methyl-1-(4-nitrophenyl)-1H-[1,2,4]triazole-3-carboxylic acid methylamide
| Molecular Formula | C11H11N5O3 |
|---|---|
| Molecular Weight | 261.09 g/mol |
| LogP | 0.84352 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.08618 |
| Heavy Atoms | 19 |
| Complexity | 632.2803 |
Chemical Identifiers
| CAS Number | 321431-12-3 |
|---|---|
| SMILES | CC1=NC(=NN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC |
Product Overview
N,5-dimethyl-1-(4-nitrophenyl)-1H-1,2,4-triazole-3-carboxamide (CAS 321431-12-3), with molecular formula C11H11N5O3 and molecular weight 261.09 g/mol. IUPAC: N,5-dimethyl-1-(4-nitrophenyl)-1,2,4-triazole-3-carboxamide.
Chemical Property Profile of N,5-dimethyl-1-(4-nitrophenyl)-1H-1,2,4-triazole-3-carboxamide
Property Insights of N,5-dimethyl-1-(4-nitrophenyl)-1H-1,2,4-triazole-3-carboxamide
The XLogP value of 0.84352 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,5-dimethyl-1-(4-nitrophenyl)-1H-1,2,4-triazole-3-carboxamide. The TPSA of 102.95 Ų falls within the moderate polarity range, balancing permeability and solubility for N,5-dimethyl-1-(4-nitrophenyl)-1H-1,2,4-triazole-3-carboxamide. Following Lipinski's Rule of Five, N,5-dimethyl-1-(4-nitrophenyl)-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 N,5-dimethyl-1-(4-nitrophenyl)-1H-1,2,4-triazole-3-carboxamide?
The CAS number of N,5-dimethyl-1-(4-nitrophenyl)-1H-1,2,4-triazole-3-carboxamide is 321431-12-3.
What is the molecular formula of N,5-dimethyl-1-(4-nitrophenyl)-1H-1,2,4-triazole-3-carboxamide?
The molecular formula of N,5-dimethyl-1-(4-nitrophenyl)-1H-1,2,4-triazole-3-carboxamide is C11H11N5O3.
What is the molecular weight of N,5-dimethyl-1-(4-nitrophenyl)-1H-1,2,4-triazole-3-carboxamide?
The molecular weight of N,5-dimethyl-1-(4-nitrophenyl)-1H-1,2,4-triazole-3-carboxamide is 261.09 g/mol.
Where can I buy N,5-dimethyl-1-(4-nitrophenyl)-1H-1,2,4-triazole-3-carboxamide?
You can request a quote for N,5-dimethyl-1-(4-nitrophenyl)-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 N,5-dimethyl-1-(4-nitrophenyl)-1H-1,2,4-triazole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N,5-dimethyl-1-(4-nitrophenyl)-1H-1,2,4-triazole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.