2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
TL;DR: 2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide (CAS 105958-57-4) is a chemical compound with molecular formula C4H5N5O3 and molecular weight 171.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-nitro-1,2,4-triazol-1-yl)acetamide
Also Known As: 2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide, BAS 00398100, 2-(3-nitro-1,2,4-triazol-1-yl)acetamide, 2-(3-nitro-1,2,4-triazolyl)acetamide, 2-(3-Nitro-[1,2,4]triazol-1-yl)-acetamide
| Molecular Formula | C4H5N5O3 |
|---|---|
| Molecular Weight | 171.04 g/mol |
| LogP | -1.3284 |
| Topological Polar Surface Area | 116.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 171.03925 |
| Heavy Atoms | 12 |
| Complexity | 318.24817 |
Chemical Identifiers
| CAS Number | 105958-57-4 |
|---|---|
| SMILES | C1=NC(=NN1CC(=O)N)[N+](=O)[O-] |
Product Overview
2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide (CAS 105958-57-4), with molecular formula C4H5N5O3 and molecular weight 171.04 g/mol. IUPAC: 2-(3-nitro-1,2,4-triazol-1-yl)acetamide.
Chemical Property Profile of 2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
Property Insights of 2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide
The XLogP value of -1.3284 indicates that 2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 116.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide. Following Lipinski's Rule of Five, 2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide 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 2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide?
The CAS number of 2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide is 105958-57-4.
What is the molecular formula of 2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide?
The molecular formula of 2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide is C4H5N5O3.
What is the molecular weight of 2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide?
The molecular weight of 2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide is 171.04 g/mol.
Where can I buy 2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide?
You can request a quote for 2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-nitro-1H-1,2,4-triazol-1-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.