1H-1,2,4-Triazole, 1-methyl-3,5-dinitro-
TL;DR: 1H-1,2,4-Triazole, 1-methyl-3,5-dinitro- (CAS 1199-63-9) is a chemical compound with molecular formula C3H3N5O4 and molecular weight 173.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3,5-dinitro-1,2,4-triazole
Also Known As: 1-methyl-3,5-dinitro-1,2,4-triazole, 1-Methyl-3,5-dinitro-1,2,4-triazol, 1H-1,2,4-Triazole, 1-methyl-3,5-dinitro-, 1-Methyl-3,5-dinitro-1H-1,2,4-triazole, 1-Methyl-3,5-dinitro-1H-[1,2,4]triazole
| Molecular Formula | C3H3N5O4 |
|---|---|
| Molecular Weight | 173.02 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 122.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 173.01851 |
| Heavy Atoms | 12 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 1199-63-9 |
|---|---|
| SMILES | CN1C(=NC(=N1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | KVIRASHUIHAZJN-UHFFFAOYSA-N |
Product Overview
1H-1,2,4-Triazole, 1-methyl-3,5-dinitro- (CAS 1199-63-9), with molecular formula C3H3N5O4 and molecular weight 173.02 g/mol. IUPAC: 1-methyl-3,5-dinitro-1,2,4-triazole.
Chemical Property Profile of 1H-1,2,4-Triazole, 1-methyl-3,5-dinitro-
Property Insights of 1H-1,2,4-Triazole, 1-methyl-3,5-dinitro-
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1H-1,2,4-Triazole, 1-methyl-3,5-dinitro-. The TPSA of 122.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-1,2,4-Triazole, 1-methyl-3,5-dinitro-. Following Lipinski's Rule of Five, 1H-1,2,4-Triazole, 1-methyl-3,5-dinitro- has 0 hydrogen bond donor(s) and 6 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 1H-1,2,4-Triazole, 1-methyl-3,5-dinitro-?
The CAS number of 1H-1,2,4-Triazole, 1-methyl-3,5-dinitro- is 1199-63-9.
What is the molecular formula of 1H-1,2,4-Triazole, 1-methyl-3,5-dinitro-?
The molecular formula of 1H-1,2,4-Triazole, 1-methyl-3,5-dinitro- is C3H3N5O4.
What is the molecular weight of 1H-1,2,4-Triazole, 1-methyl-3,5-dinitro-?
The molecular weight of 1H-1,2,4-Triazole, 1-methyl-3,5-dinitro- is 173.02 g/mol.
Where can I buy 1H-1,2,4-Triazole, 1-methyl-3,5-dinitro-?
You can request a quote for 1H-1,2,4-Triazole, 1-methyl-3,5-dinitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-1,2,4-Triazole, 1-methyl-3,5-dinitro-?
Yes, KEHONG BIO provides custom synthesis services for 1H-1,2,4-Triazole, 1-methyl-3,5-dinitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.