2-methyl-4-nitro-2H-1,2,3-triazole 1-oxide
TL;DR: 2-methyl-4-nitro-2H-1,2,3-triazole 1-oxide (CAS 109299-61-8) is a chemical compound with molecular formula C3H4N4O3 and molecular weight 144.02834 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methyl-4-nitro-1-oxidotriazol-1-ium
Also Known As: 2-methyl-4-nitro-1-oxidotriazol-1-ium, 2-methyl-4-nitro-1,2,3-triazol-1-ol, 2-methyl-4-nitro-2H-1,2,3-triazole 1-oxide, 2-methyl-4-nitro-2H-1,2,3-triazol-1-ium-1-olate, E87265
Technical Specifications
| Molecular Formula | C3H4N4O3 |
| Molecular Weight | 144.02834 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 89.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 144.02834 Da |
| Heavy Atoms | 10 |
| Complexity | 145.0 |
| SMILES | CN1N=C(C=[N+]1[O-])[N+](=O)[O-] |
| InChIKey | AIOXQTXOWLJLCY-UHFFFAOYSA-N |
Chemical Property Profile of 2-methyl-4-nitro-2H-1,2,3-triazole 1-oxide
Property Insights of 2-methyl-4-nitro-2H-1,2,3-triazole 1-oxide
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methyl-4-nitro-2H-1,2,3-triazole 1-oxide. The TPSA of 89.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-methyl-4-nitro-2H-1,2,3-triazole 1-oxide. Following Lipinski's Rule of Five, 2-methyl-4-nitro-2H-1,2,3-triazole 1-oxide 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
What is the CAS number of 2-methyl-4-nitro-2H-1,2,3-triazole 1-oxide?
The CAS number of 2-methyl-4-nitro-2H-1,2,3-triazole 1-oxide is 109299-61-8.
What is the molecular formula of 2-methyl-4-nitro-2H-1,2,3-triazole 1-oxide?
The molecular formula of 2-methyl-4-nitro-2H-1,2,3-triazole 1-oxide is C3H4N4O3.
What is the molecular weight of 2-methyl-4-nitro-2H-1,2,3-triazole 1-oxide?
The molecular weight of 2-methyl-4-nitro-2H-1,2,3-triazole 1-oxide is 144.02834 g/mol.
Where can I buy 2-methyl-4-nitro-2H-1,2,3-triazole 1-oxide?
You can request a quote for 2-methyl-4-nitro-2H-1,2,3-triazole 1-oxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-methyl-4-nitro-2H-1,2,3-triazole 1-oxide?
Yes, CoreyChem provides custom synthesis services for 2-methyl-4-nitro-2H-1,2,3-triazole 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.