(E)-1-(4-nitrophenyl)-N-(4H-1,2,4-triazol-3-yl)methanimine
TL;DR: (E)-1-(4-nitrophenyl)-N-(4H-1,2,4-triazol-3-yl)methanimine (CAS 1880494-73-4) 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-(4-nitrophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine
Also Known As: (E)-1-(4-nitrophenyl)-N-(4H-1,2,4-triazol-3-yl)methanimine, 1-(4-nitrophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine, (1E)-1-(4-NITROPHENYL)-N-(4H-1,2,4-TRIAZOL-3-YL)METHANIMINE
| Molecular Formula | C9H7N5O2 |
|---|---|
| Molecular Weight | 217.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 99.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 217.05997 |
| Heavy Atoms | 16 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 1880494-73-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C=NC2=NC=NN2)[N+](=O)[O-] |
| InChIKey | VJSLKKKDXDNDLN-UHFFFAOYSA-N |
Product Overview
(E)-1-(4-nitrophenyl)-N-(4H-1,2,4-triazol-3-yl)methanimine (CAS 1880494-73-4), with molecular formula C9H7N5O2 and molecular weight 217.06 g/mol. IUPAC: 1-(4-nitrophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine.
Chemical Property Profile of (E)-1-(4-nitrophenyl)-N-(4H-1,2,4-triazol-3-yl)methanimine
Property Insights of (E)-1-(4-nitrophenyl)-N-(4H-1,2,4-triazol-3-yl)methanimine
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(4-nitrophenyl)-N-(4H-1,2,4-triazol-3-yl)methanimine. The TPSA of 99.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-1-(4-nitrophenyl)-N-(4H-1,2,4-triazol-3-yl)methanimine. Following Lipinski's Rule of Five, (E)-1-(4-nitrophenyl)-N-(4H-1,2,4-triazol-3-yl)methanimine 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 (E)-1-(4-nitrophenyl)-N-(4H-1,2,4-triazol-3-yl)methanimine?
The CAS number of (E)-1-(4-nitrophenyl)-N-(4H-1,2,4-triazol-3-yl)methanimine is 1880494-73-4.
What is the molecular formula of (E)-1-(4-nitrophenyl)-N-(4H-1,2,4-triazol-3-yl)methanimine?
The molecular formula of (E)-1-(4-nitrophenyl)-N-(4H-1,2,4-triazol-3-yl)methanimine is C9H7N5O2.
What is the molecular weight of (E)-1-(4-nitrophenyl)-N-(4H-1,2,4-triazol-3-yl)methanimine?
The molecular weight of (E)-1-(4-nitrophenyl)-N-(4H-1,2,4-triazol-3-yl)methanimine is 217.06 g/mol.
Where can I buy (E)-1-(4-nitrophenyl)-N-(4H-1,2,4-triazol-3-yl)methanimine?
You can request a quote for (E)-1-(4-nitrophenyl)-N-(4H-1,2,4-triazol-3-yl)methanimine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-1-(4-nitrophenyl)-N-(4H-1,2,4-triazol-3-yl)methanimine?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(4-nitrophenyl)-N-(4H-1,2,4-triazol-3-yl)methanimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.