3-(5-Nitro-2-furyl)-4H-1,2,4-triazole
TL;DR: 3-(5-Nitro-2-furyl)-4H-1,2,4-triazole (CAS 5019-55-6) is a chemical compound with molecular formula C6H4N4O3 and molecular weight 180.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(5-nitrofuran-2-yl)-1H-1,2,4-triazole
Also Known As: 3-(5-Nitro-2-furyl)-4H-1,2,4-triazole, 3-(5-Nitro-2-furanyl)-1,2,4-triazole, s-Triazole, 3-(5-nitro-2-furyl)-, 4H-1,2,4-TRIAZOLE, 3-(5-NITRO-2-FURYL)-, 3-(5-nitro-furan-2-yl)-1H-[1,2,4]triazole
| Molecular Formula | C6H4N4O3 |
|---|---|
| Molecular Weight | 180.03 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 180.02834 |
| Heavy Atoms | 13 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 5019-55-6 |
|---|---|
| SMILES | C1=C(OC(=C1)[N+](=O)[O-])C2=NC=NN2 |
| InChIKey | OHEIGDXIMWTXGW-UHFFFAOYSA-N |
Product Overview
3-(5-Nitro-2-furyl)-4H-1,2,4-triazole (CAS 5019-55-6), with molecular formula C6H4N4O3 and molecular weight 180.03 g/mol. IUPAC: 5-(5-nitrofuran-2-yl)-1H-1,2,4-triazole.
Chemical Property Profile of 3-(5-Nitro-2-furyl)-4H-1,2,4-triazole
Property Insights of 3-(5-Nitro-2-furyl)-4H-1,2,4-triazole
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(5-Nitro-2-furyl)-4H-1,2,4-triazole. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(5-Nitro-2-furyl)-4H-1,2,4-triazole. Following Lipinski's Rule of Five, 3-(5-Nitro-2-furyl)-4H-1,2,4-triazole has 1 hydrogen bond donor(s) and 5 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-Nitro-2-furyl)-4H-1,2,4-triazole?
The CAS number of 3-(5-Nitro-2-furyl)-4H-1,2,4-triazole is 5019-55-6.
What is the molecular formula of 3-(5-Nitro-2-furyl)-4H-1,2,4-triazole?
The molecular formula of 3-(5-Nitro-2-furyl)-4H-1,2,4-triazole is C6H4N4O3.
What is the molecular weight of 3-(5-Nitro-2-furyl)-4H-1,2,4-triazole?
The molecular weight of 3-(5-Nitro-2-furyl)-4H-1,2,4-triazole is 180.03 g/mol.
Where can I buy 3-(5-Nitro-2-furyl)-4H-1,2,4-triazole?
You can request a quote for 3-(5-Nitro-2-furyl)-4H-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-Nitro-2-furyl)-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(5-Nitro-2-furyl)-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.