1-Methyl-3-nitro-1,2,4-triazole
TL;DR: 1-Methyl-3-nitro-1,2,4-triazole (CAS 26621-45-4) is a chemical compound with molecular formula C3H4N4O2 and molecular weight 128.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-nitro-1,2,4-triazole
Also Known As: 1-methyl-3-nitro-1H-1,2,4-triazole, 1-Methyl-3-nitro-1,2,4-triazole, 1H-1,2,4-Triazole, 1-methyl-3-nitro-, 1H-1,2,4-Triazole,1-methyl-3-nitro-, 1-methyl-3-nitro-1H-[1,2,4]triazole
| Molecular Formula | C3H4N4O2 |
|---|---|
| Molecular Weight | 128.03 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 76.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 128.03343 |
| Heavy Atoms | 9 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 26621-45-4 |
|---|---|
| SMILES | CN1C=NC(=N1)[N+](=O)[O-] |
| InChIKey | DOEWLMFVRWMCGM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methyl-3-nitro-1,2,4-triazole (CAS 26621-45-4), with molecular formula C3H4N4O2 and molecular weight 128.03 g/mol. IUPAC: 1-methyl-3-nitro-1,2,4-triazole.
Chemical Property Profile of 1-Methyl-3-nitro-1,2,4-triazole
Property Insights of 1-Methyl-3-nitro-1,2,4-triazole
The XLogP value of -0.7 indicates that 1-Methyl-3-nitro-1,2,4-triazole is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 76.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-3-nitro-1,2,4-triazole. Following Lipinski's Rule of Five, 1-Methyl-3-nitro-1,2,4-triazole 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 1-Methyl-3-nitro-1,2,4-triazole?
The CAS number of 1-Methyl-3-nitro-1,2,4-triazole is 26621-45-4.
What is the molecular formula of 1-Methyl-3-nitro-1,2,4-triazole?
The molecular formula of 1-Methyl-3-nitro-1,2,4-triazole is C3H4N4O2.
What is the molecular weight of 1-Methyl-3-nitro-1,2,4-triazole?
The molecular weight of 1-Methyl-3-nitro-1,2,4-triazole is 128.03 g/mol.
Where can I buy 1-Methyl-3-nitro-1,2,4-triazole?
You can request a quote for 1-Methyl-3-nitro-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-3-nitro-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-3-nitro-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.