2,4-Dimethyl-5-nitro-1,2,4-triazol-3-one
TL;DR: 2,4-Dimethyl-5-nitro-1,2,4-triazol-3-one (CAS 22354-20-7) is a chemical compound with molecular formula C4H6N4O3 and molecular weight 158.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dimethyl-5-nitro-1,2,4-triazol-3-one
Also Known As: 1,4-dimethyl-3-nitro-1,2,4-triazol-5-one, 2,4-dimethyl-5-nitro-1,2,4-triazol-3-one
| Molecular Formula | C4H6N4O3 |
|---|---|
| Molecular Weight | 158.04 g/mol |
| LogP | -0.973 |
| Topological Polar Surface Area | 82.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 158.04399 |
| Heavy Atoms | 11 |
| Complexity | 348.7094 |
Chemical Identifiers
| CAS Number | 22354-20-7 |
|---|---|
| SMILES | CN1C(=NN(C1=O)C)[N+](=O)[O-] |
Product Overview
2,4-Dimethyl-5-nitro-1,2,4-triazol-3-one (CAS 22354-20-7), with molecular formula C4H6N4O3 and molecular weight 158.04 g/mol. IUPAC: 2,4-dimethyl-5-nitro-1,2,4-triazol-3-one.
Chemical Property Profile of 2,4-Dimethyl-5-nitro-1,2,4-triazol-3-one
Property Insights of 2,4-Dimethyl-5-nitro-1,2,4-triazol-3-one
The XLogP value of -0.973 indicates that 2,4-Dimethyl-5-nitro-1,2,4-triazol-3-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 82.96 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dimethyl-5-nitro-1,2,4-triazol-3-one. Following Lipinski's Rule of Five, 2,4-Dimethyl-5-nitro-1,2,4-triazol-3-one has 0 hydrogen bond donor(s) and 4 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 2,4-Dimethyl-5-nitro-1,2,4-triazol-3-one?
The CAS number of 2,4-Dimethyl-5-nitro-1,2,4-triazol-3-one is 22354-20-7.
What is the molecular formula of 2,4-Dimethyl-5-nitro-1,2,4-triazol-3-one?
The molecular formula of 2,4-Dimethyl-5-nitro-1,2,4-triazol-3-one is C4H6N4O3.
What is the molecular weight of 2,4-Dimethyl-5-nitro-1,2,4-triazol-3-one?
The molecular weight of 2,4-Dimethyl-5-nitro-1,2,4-triazol-3-one is 158.04 g/mol.
Where can I buy 2,4-Dimethyl-5-nitro-1,2,4-triazol-3-one?
You can request a quote for 2,4-Dimethyl-5-nitro-1,2,4-triazol-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dimethyl-5-nitro-1,2,4-triazol-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dimethyl-5-nitro-1,2,4-triazol-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.