4-Methyl-5-nitro-2h-1,2,3-triazole
TL;DR: 4-Methyl-5-nitro-2h-1,2,3-triazole (CAS 29005-41-2) 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.
4-methyl-5-nitro-2H-triazole
Also Known As: 4-methylnitrotriazole, 4-methyl-5-nitro-2H-triazole, 4-methyl-5-nitro-2h-1,2,3-triazole, v-Triazole, 4-methyl-5-nitro-, v-Triazole,4-methyl-5-nitro
| Molecular Formula | C3H4N4O2 |
|---|---|
| Molecular Weight | 128.03 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 87.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 128.03343 |
| Heavy Atoms | 9 |
| Complexity | 121.0 |
Chemical Identifiers
| CAS Number | 29005-41-2 |
|---|---|
| SMILES | CC1=NNN=C1[N+](=O)[O-] |
| InChIKey | AHQVZBLBHYVKKA-UHFFFAOYSA-N |
Product Overview
4-Methyl-5-nitro-2h-1,2,3-triazole (CAS 29005-41-2), with molecular formula C3H4N4O2 and molecular weight 128.03 g/mol. IUPAC: 4-methyl-5-nitro-2H-triazole.
Chemical Property Profile of 4-Methyl-5-nitro-2h-1,2,3-triazole
Property Insights of 4-Methyl-5-nitro-2h-1,2,3-triazole
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-5-nitro-2h-1,2,3-triazole. The TPSA of 87.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Methyl-5-nitro-2h-1,2,3-triazole. Following Lipinski's Rule of Five, 4-Methyl-5-nitro-2h-1,2,3-triazole has 1 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 4-Methyl-5-nitro-2h-1,2,3-triazole?
The CAS number of 4-Methyl-5-nitro-2h-1,2,3-triazole is 29005-41-2.
What is the molecular formula of 4-Methyl-5-nitro-2h-1,2,3-triazole?
The molecular formula of 4-Methyl-5-nitro-2h-1,2,3-triazole is C3H4N4O2.
What is the molecular weight of 4-Methyl-5-nitro-2h-1,2,3-triazole?
The molecular weight of 4-Methyl-5-nitro-2h-1,2,3-triazole is 128.03 g/mol.
Where can I buy 4-Methyl-5-nitro-2h-1,2,3-triazole?
You can request a quote for 4-Methyl-5-nitro-2h-1,2,3-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-5-nitro-2h-1,2,3-triazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-5-nitro-2h-1,2,3-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.