3-Nitro-1,2,4-triazole
TL;DR: 3-Nitro-1,2,4-triazole (CAS 24807-55-4) is a chemical compound with molecular formula C2H2N4O2 and molecular weight 114.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-1H-1,2,4-triazole
Also Known As: 3-Nitro-1,2,4-triazole, 3-Nitro-1H-1,2,4-triazole, 5-nitro-1H-1,2,4-triazole, null, s-Triazole, 3-nitro-
| Molecular Formula | C2H2N4O2 |
|---|---|
| Molecular Weight | 114.02 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 87.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 114.01778 |
| Heavy Atoms | 8 |
| Complexity | 98.0 |
Chemical Identifiers
| CAS Number | 24807-55-4 |
|---|---|
| SMILES | C1=NNC(=N1)[N+](=O)[O-] |
| InChIKey | KUEFXPHXHHANKS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Nitro-1,2,4-triazole (CAS 24807-55-4), with molecular formula C2H2N4O2 and molecular weight 114.02 g/mol. IUPAC: 5-nitro-1H-1,2,4-triazole.
Chemical Property Profile of 3-Nitro-1,2,4-triazole
Property Insights of 3-Nitro-1,2,4-triazole
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitro-1,2,4-triazole. The TPSA of 87.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitro-1,2,4-triazole. Following Lipinski's Rule of Five, 3-Nitro-1,2,4-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 3-Nitro-1,2,4-triazole?
The CAS number of 3-Nitro-1,2,4-triazole is 24807-55-4.
What is the molecular formula of 3-Nitro-1,2,4-triazole?
The molecular formula of 3-Nitro-1,2,4-triazole is C2H2N4O2.
What is the molecular weight of 3-Nitro-1,2,4-triazole?
The molecular weight of 3-Nitro-1,2,4-triazole is 114.02 g/mol.
Where can I buy 3-Nitro-1,2,4-triazole?
You can request a quote for 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 3-Nitro-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitro-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.