3-methyl-4-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide
TL;DR: 3-methyl-4-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide (CAS 313981-67-8) is a chemical compound with molecular formula C10H9N5O3 and molecular weight 247.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-4-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide
Also Known As: 3-methyl-4-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide, 3-methyl-4-nitro-N-(4H-1,2,4-triazol-3-yl)benzamide, 3-methyl-4-nitro-N-4H-1,2,4-triazol-3-ylbenzamide, 3-methyl-4-nitro-N-(1H-1,2,4-triazol-3-yl)benzamide, 4-nitro-3-methyl-N-(1H-1,2,4-triazol-3-yl)benzamide
| Molecular Formula | C10H9N5O3 |
|---|---|
| Molecular Weight | 247.07 g/mol |
| LogP | 1.27362 |
| Topological Polar Surface Area | 113.81 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 247.07054 |
| Heavy Atoms | 18 |
| Complexity | 593.56555 |
Chemical Identifiers
| CAS Number | 313981-67-8 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)NC2=NC=NN2)[N+](=O)[O-] |
Product Overview
3-methyl-4-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide (CAS 313981-67-8), with molecular formula C10H9N5O3 and molecular weight 247.07 g/mol. IUPAC: 3-methyl-4-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide.
Chemical Property Profile of 3-methyl-4-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide
Property Insights of 3-methyl-4-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide
The XLogP value of 1.27362 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methyl-4-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide. The TPSA of 113.81 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-methyl-4-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide. Following Lipinski's Rule of Five, 3-methyl-4-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide 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
Frequently Asked Questions
What is the CAS number of 3-methyl-4-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide?
The CAS number of 3-methyl-4-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide is 313981-67-8.
What is the molecular formula of 3-methyl-4-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide?
The molecular formula of 3-methyl-4-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide is C10H9N5O3.
What is the molecular weight of 3-methyl-4-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide?
The molecular weight of 3-methyl-4-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide is 247.07 g/mol.
Where can I buy 3-methyl-4-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide?
You can request a quote for 3-methyl-4-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-methyl-4-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 3-methyl-4-nitro-N-(1H-1,2,4-triazol-5-yl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.