![4-[2-(2-Nitrophenyl)-1-azavinyl]-1,2,4-triazole structure](/static/products/3554/35548-91-5.webp)
4-[2-(2-Nitrophenyl)-1-azavinyl]-1,2,4-triazole
TL;DR: 4-[2-(2-Nitrophenyl)-1-azavinyl]-1,2,4-triazole (CAS 35548-91-5) is a chemical compound with molecular formula C9H7N5O2 and molecular weight 217.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2-nitrophenyl)-N-(1,2,4-triazol-4-yl)methanimine
Also Known As: (2-nitro-benzylidene)-(1,2,4)triazol-4-yl-amine, 4-[2-(2-nitrophenyl)-1-azavinyl]-1,2,4-triazole, 1-(2-nitrophenyl)-N-(1,2,4-triazol-4-yl)methanimine
| Molecular Formula | C9H7N5O2 |
|---|---|
| Molecular Weight | 217.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 88.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.05997 |
| Heavy Atoms | 16 |
| Complexity | 272.0 |
Chemical Identifiers
| CAS Number | 35548-91-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=NN2C=NN=C2)[N+](=O)[O-] |
| InChIKey | KUPRONFXIPRGPP-UHFFFAOYSA-N |
Product Overview
4-[2-(2-Nitrophenyl)-1-azavinyl]-1,2,4-triazole (CAS 35548-91-5), with molecular formula C9H7N5O2 and molecular weight 217.06 g/mol. IUPAC: 1-(2-nitrophenyl)-N-(1,2,4-triazol-4-yl)methanimine.
Chemical Property Profile of 4-[2-(2-Nitrophenyl)-1-azavinyl]-1,2,4-triazole
Property Insights of 4-[2-(2-Nitrophenyl)-1-azavinyl]-1,2,4-triazole
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[2-(2-Nitrophenyl)-1-azavinyl]-1,2,4-triazole. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[2-(2-Nitrophenyl)-1-azavinyl]-1,2,4-triazole. Following Lipinski's Rule of Five, 4-[2-(2-Nitrophenyl)-1-azavinyl]-1,2,4-triazole has 0 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 4-[2-(2-Nitrophenyl)-1-azavinyl]-1,2,4-triazole?
The CAS number of 4-[2-(2-Nitrophenyl)-1-azavinyl]-1,2,4-triazole is 35548-91-5.
What is the molecular formula of 4-[2-(2-Nitrophenyl)-1-azavinyl]-1,2,4-triazole?
The molecular formula of 4-[2-(2-Nitrophenyl)-1-azavinyl]-1,2,4-triazole is C9H7N5O2.
What is the molecular weight of 4-[2-(2-Nitrophenyl)-1-azavinyl]-1,2,4-triazole?
The molecular weight of 4-[2-(2-Nitrophenyl)-1-azavinyl]-1,2,4-triazole is 217.06 g/mol.
Where can I buy 4-[2-(2-Nitrophenyl)-1-azavinyl]-1,2,4-triazole?
You can request a quote for 4-[2-(2-Nitrophenyl)-1-azavinyl]-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 4-[2-(2-Nitrophenyl)-1-azavinyl]-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 4-[2-(2-Nitrophenyl)-1-azavinyl]-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.