1-(3-Nitro-1H-1,2,4-triazol-1-yl)propan-2-one
TL;DR: 1-(3-Nitro-1H-1,2,4-triazol-1-yl)propan-2-one (CAS 60728-89-4) is a chemical compound with molecular formula C5H6N4O3 and molecular weight 170.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3-nitro-1,2,4-triazol-1-yl)propan-2-one
Also Known As: 1-(3-Nitro-1H-1,2,4-triazol-1-yl)acetone, 1-(3-nitro-1H-1,2,4-triazol-1-yl)propan-2-one, 1-(3-nitro-1,2,4-triazol-1-yl)propan-2-one, ZERO/008020, CHEMBRDG-BB 5566188
| Molecular Formula | C5H6N4O3 |
|---|---|
| Molecular Weight | 170.04 g/mol |
| LogP | -0.2247 |
| Topological Polar Surface Area | 90.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 170.04399 |
| Heavy Atoms | 12 |
| Complexity | 318.24817 |
Chemical Identifiers
| CAS Number | 60728-89-4 |
|---|---|
| SMILES | CC(=O)CN1C=NC(=N1)[N+](=O)[O-] |
Product Overview
1-(3-Nitro-1H-1,2,4-triazol-1-yl)propan-2-one (CAS 60728-89-4), with molecular formula C5H6N4O3 and molecular weight 170.04 g/mol. IUPAC: 1-(3-nitro-1,2,4-triazol-1-yl)propan-2-one.
Chemical Property Profile of 1-(3-Nitro-1H-1,2,4-triazol-1-yl)propan-2-one
Property Insights of 1-(3-Nitro-1H-1,2,4-triazol-1-yl)propan-2-one
The XLogP value of -0.2247 indicates that 1-(3-Nitro-1H-1,2,4-triazol-1-yl)propan-2-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 90.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3-Nitro-1H-1,2,4-triazol-1-yl)propan-2-one. Following Lipinski's Rule of Five, 1-(3-Nitro-1H-1,2,4-triazol-1-yl)propan-2-one has 0 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 1-(3-Nitro-1H-1,2,4-triazol-1-yl)propan-2-one?
The CAS number of 1-(3-Nitro-1H-1,2,4-triazol-1-yl)propan-2-one is 60728-89-4.
What is the molecular formula of 1-(3-Nitro-1H-1,2,4-triazol-1-yl)propan-2-one?
The molecular formula of 1-(3-Nitro-1H-1,2,4-triazol-1-yl)propan-2-one is C5H6N4O3.
What is the molecular weight of 1-(3-Nitro-1H-1,2,4-triazol-1-yl)propan-2-one?
The molecular weight of 1-(3-Nitro-1H-1,2,4-triazol-1-yl)propan-2-one is 170.04 g/mol.
Where can I buy 1-(3-Nitro-1H-1,2,4-triazol-1-yl)propan-2-one?
You can request a quote for 1-(3-Nitro-1H-1,2,4-triazol-1-yl)propan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3-Nitro-1H-1,2,4-triazol-1-yl)propan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(3-Nitro-1H-1,2,4-triazol-1-yl)propan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.