![N-[(4-nitrophenyl)methyl]-1H-1,2,4-triazol-5-amine structure](/static/products/869/869945-58-4.png)
N-[(4-nitrophenyl)methyl]-1H-1,2,4-triazol-5-amine
TL;DR: N-[(4-nitrophenyl)methyl]-1H-1,2,4-triazol-5-amine (CAS 869945-58-4) 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.
N-[(4-nitrophenyl)methyl]-1H-1,2,4-triazol-5-amine
Also Known As: N-[(4-nitrophenyl)methyl]-1H-1,2,4-triazol-5-amine, N-[(4-nitrophenyl)methyl]-2H-1,2,4-triazol-3-amine, N-[(4-Nitrophenyl)methyl]-4H-1,2,4-triazol-3-amine
| Molecular Formula | C9H9N5O2 |
|---|---|
| Molecular Weight | 219.08 g/mol |
| LogP | 1.325 |
| Topological Polar Surface Area | 96.74 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 219.07562 |
| Heavy Atoms | 16 |
| Complexity | 465.1544 |
Chemical Identifiers
| CAS Number | 869945-58-4 |
|---|---|
| SMILES | C1=CC(=CC=C1CNC2=NC=NN2)[N+](=O)[O-] |
Product Overview
N-[(4-nitrophenyl)methyl]-1H-1,2,4-triazol-5-amine (CAS 869945-58-4), with molecular formula C9H9N5O2 and molecular weight 219.08 g/mol. IUPAC: N-[(4-nitrophenyl)methyl]-1H-1,2,4-triazol-5-amine.
Chemical Property Profile of N-[(4-nitrophenyl)methyl]-1H-1,2,4-triazol-5-amine
Property Insights of N-[(4-nitrophenyl)methyl]-1H-1,2,4-triazol-5-amine
The XLogP value of 1.325 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[(4-nitrophenyl)methyl]-1H-1,2,4-triazol-5-amine. The TPSA of 96.74 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(4-nitrophenyl)methyl]-1H-1,2,4-triazol-5-amine. Following Lipinski's Rule of Five, N-[(4-nitrophenyl)methyl]-1H-1,2,4-triazol-5-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 N-[(4-nitrophenyl)methyl]-1H-1,2,4-triazol-5-amine?
The CAS number of N-[(4-nitrophenyl)methyl]-1H-1,2,4-triazol-5-amine is 869945-58-4.
What is the molecular formula of N-[(4-nitrophenyl)methyl]-1H-1,2,4-triazol-5-amine?
The molecular formula of N-[(4-nitrophenyl)methyl]-1H-1,2,4-triazol-5-amine is C9H9N5O2.
What is the molecular weight of N-[(4-nitrophenyl)methyl]-1H-1,2,4-triazol-5-amine?
The molecular weight of N-[(4-nitrophenyl)methyl]-1H-1,2,4-triazol-5-amine is 219.08 g/mol.
Where can I buy N-[(4-nitrophenyl)methyl]-1H-1,2,4-triazol-5-amine?
You can request a quote for N-[(4-nitrophenyl)methyl]-1H-1,2,4-triazol-5-amine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(4-nitrophenyl)methyl]-1H-1,2,4-triazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for N-[(4-nitrophenyl)methyl]-1H-1,2,4-triazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.