5-(4-Nitrobenzyl)-4H-1,2,4-triazol-3-amine
TL;DR: 5-(4-Nitrobenzyl)-4H-1,2,4-triazol-3-amine (CAS 90349-93-2) is a chemical compound with molecular formula C9H9N5O2 and molecular weight 219.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-nitrophenyl)methyl]-1H-1,2,4-triazol-3-amine
Also Known As: 5-(4-NITROBENZYL)-4H-1,2,4-TRIAZOL-3-AMINE, 5-[(4-nitrophenyl)methyl]-1H-1,2,4-triazol-3-amine, 5-(4-Nitrobenzyl)-1H-1,2,4-triazol-3-amine, 5-Amino-3-(p-nitrobenzyl)-1H-1,2,4-triazole, 349N932
| Molecular Formula | C9H9N5O2 |
|---|---|
| Molecular Weight | 219.08 g/mol |
| LogP | 0.8859 |
| Topological Polar Surface Area | 110.73 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 219.07562 |
| Heavy Atoms | 16 |
| Complexity | 504.87283 |
Chemical Identifiers
| CAS Number | 90349-93-2 |
|---|---|
| SMILES | C1=CC(=CC=C1CC2=NC(=NN2)N)[N+](=O)[O-] |
Product Overview
5-(4-Nitrobenzyl)-4H-1,2,4-triazol-3-amine (CAS 90349-93-2), with molecular formula C9H9N5O2 and molecular weight 219.08 g/mol. IUPAC: 5-[(4-nitrophenyl)methyl]-1H-1,2,4-triazol-3-amine.
Chemical Property Profile of 5-(4-Nitrobenzyl)-4H-1,2,4-triazol-3-amine
Property Insights of 5-(4-Nitrobenzyl)-4H-1,2,4-triazol-3-amine
The XLogP value of 0.8859 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Nitrobenzyl)-4H-1,2,4-triazol-3-amine. The TPSA of 110.73 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-Nitrobenzyl)-4H-1,2,4-triazol-3-amine. Following Lipinski's Rule of Five, 5-(4-Nitrobenzyl)-4H-1,2,4-triazol-3-amine has 2 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 5-(4-Nitrobenzyl)-4H-1,2,4-triazol-3-amine?
The CAS number of 5-(4-Nitrobenzyl)-4H-1,2,4-triazol-3-amine is 90349-93-2.
What is the molecular formula of 5-(4-Nitrobenzyl)-4H-1,2,4-triazol-3-amine?
The molecular formula of 5-(4-Nitrobenzyl)-4H-1,2,4-triazol-3-amine is C9H9N5O2.
What is the molecular weight of 5-(4-Nitrobenzyl)-4H-1,2,4-triazol-3-amine?
The molecular weight of 5-(4-Nitrobenzyl)-4H-1,2,4-triazol-3-amine is 219.08 g/mol.
Where can I buy 5-(4-Nitrobenzyl)-4H-1,2,4-triazol-3-amine?
You can request a quote for 5-(4-Nitrobenzyl)-4H-1,2,4-triazol-3-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Nitrobenzyl)-4H-1,2,4-triazol-3-amine?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Nitrobenzyl)-4H-1,2,4-triazol-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.