3-(4-nitrophenyl)-1H-1,2,4-triazole
TL;DR: 3-(4-nitrophenyl)-1H-1,2,4-triazole (CAS 6219-52-9) is a chemical compound with molecular formula C8H6N4O2 and molecular weight 190.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-nitrophenyl)-1H-1,2,4-triazole
Also Known As: 3-(4-nitrophenyl)-1H-1,2,4-triazole, 3-(4-Nitrophenyl)-4H-1,2,4-triazole, 5-(4-nitrophenyl)-1H-1,2,4-triazole, 1H-1,2,4-Triazole, 3-(4-nitrophenyl)-, 1H-1,2,4-Triazole,5-(4-nitrophenyl)-
| Molecular Formula | C8H6N4O2 |
|---|---|
| Molecular Weight | 190.05 g/mol |
| LogP | 1.3799 |
| Topological Polar Surface Area | 84.71 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 190.04907 |
| Heavy Atoms | 14 |
| Complexity | 434.87466 |
Chemical Identifiers
| CAS Number | 6219-52-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=NC=NN2)[N+](=O)[O-] |
Product Overview
3-(4-nitrophenyl)-1H-1,2,4-triazole (CAS 6219-52-9), with molecular formula C8H6N4O2 and molecular weight 190.05 g/mol. IUPAC: 5-(4-nitrophenyl)-1H-1,2,4-triazole.
Chemical Property Profile of 3-(4-nitrophenyl)-1H-1,2,4-triazole
Property Insights of 3-(4-nitrophenyl)-1H-1,2,4-triazole
The XLogP value of 1.3799 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-nitrophenyl)-1H-1,2,4-triazole. The TPSA of 84.71 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-nitrophenyl)-1H-1,2,4-triazole. Following Lipinski's Rule of Five, 3-(4-nitrophenyl)-1H-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-(4-nitrophenyl)-1H-1,2,4-triazole?
The CAS number of 3-(4-nitrophenyl)-1H-1,2,4-triazole is 6219-52-9.
What is the molecular formula of 3-(4-nitrophenyl)-1H-1,2,4-triazole?
The molecular formula of 3-(4-nitrophenyl)-1H-1,2,4-triazole is C8H6N4O2.
What is the molecular weight of 3-(4-nitrophenyl)-1H-1,2,4-triazole?
The molecular weight of 3-(4-nitrophenyl)-1H-1,2,4-triazole is 190.05 g/mol.
Where can I buy 3-(4-nitrophenyl)-1H-1,2,4-triazole?
You can request a quote for 3-(4-nitrophenyl)-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-(4-nitrophenyl)-1H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-nitrophenyl)-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.