3,5-dinitro-1H-1,2,4-triazole
TL;DR: 3,5-dinitro-1H-1,2,4-triazole (CAS 26621-32-9) is a chemical compound with molecular formula C2HN5O4 and molecular weight 159.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-dinitro-1H-1,2,4-triazole
Also Known As: 3,5-dinitro-1H-1,2,4-triazole, 3,5-dinitro-1,2,4-triazole, 3,5-Dinitro-4H-1,2,4-triazole, 1H-1,2,4-Triazole, 3,5-dinitro-, J1.444.165D
| Molecular Formula | C2HN5O4 |
|---|---|
| Molecular Weight | 159.00 g/mol |
| LogP | -0.3789 |
| Topological Polar Surface Area | 127.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 159.00285 |
| Heavy Atoms | 11 |
| Complexity | 274.686 |
Chemical Identifiers
| CAS Number | 26621-32-9 |
|---|---|
| SMILES | C1(=NC(=NN1)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
3,5-dinitro-1H-1,2,4-triazole (CAS 26621-32-9), with molecular formula C2HN5O4 and molecular weight 159.00 g/mol. IUPAC: 3,5-dinitro-1H-1,2,4-triazole.
Chemical Property Profile of 3,5-dinitro-1H-1,2,4-triazole
Property Insights of 3,5-dinitro-1H-1,2,4-triazole
The XLogP value of -0.3789 indicates that 3,5-dinitro-1H-1,2,4-triazole is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 127.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-dinitro-1H-1,2,4-triazole. Following Lipinski's Rule of Five, 3,5-dinitro-1H-1,2,4-triazole has 1 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 3,5-dinitro-1H-1,2,4-triazole?
The CAS number of 3,5-dinitro-1H-1,2,4-triazole is 26621-32-9.
What is the molecular formula of 3,5-dinitro-1H-1,2,4-triazole?
The molecular formula of 3,5-dinitro-1H-1,2,4-triazole is C2HN5O4.
What is the molecular weight of 3,5-dinitro-1H-1,2,4-triazole?
The molecular weight of 3,5-dinitro-1H-1,2,4-triazole is 159.00 g/mol.
Where can I buy 3,5-dinitro-1H-1,2,4-triazole?
You can request a quote for 3,5-dinitro-1H-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 3,5-dinitro-1H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3,5-dinitro-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.