3-Nitro-1-phenyl-1H-1,2,4-triazol-5-ylamine
TL;DR: 3-Nitro-1-phenyl-1H-1,2,4-triazol-5-ylamine (CAS 120952-69-4) is a chemical compound with molecular formula C8H7N5O2 and molecular weight 205.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-2-phenyl-1,2,4-triazol-3-amine
Also Known As: 5-nitro-2-phenyl-1,2,4-triazol-3-amine, 3-Nitro-1-phenyl-1H-1,2,4-triazol-5-ylamine, 3-nitro-1-phenyl-1H-1,2,4-triazol-5-amine, 3-nitro-1-phenyl-1,2,4-triazole-5-ylamine, 5-Nitro-2-phenyl-2H-[1,2,4]triazol-3-ylamine
| Molecular Formula | C8H7N5O2 |
|---|---|
| Molecular Weight | 205.06 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 205.05997 |
| Heavy Atoms | 15 |
| Complexity | 238.0 |
Chemical Identifiers
| CAS Number | 120952-69-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NC(=N2)[N+](=O)[O-])N |
| InChIKey | JKMKDMRBXCSPLE-UHFFFAOYSA-N |
Product Overview
3-Nitro-1-phenyl-1H-1,2,4-triazol-5-ylamine (CAS 120952-69-4), with molecular formula C8H7N5O2 and molecular weight 205.06 g/mol. IUPAC: 5-nitro-2-phenyl-1,2,4-triazol-3-amine.
Chemical Property Profile of 3-Nitro-1-phenyl-1H-1,2,4-triazol-5-ylamine
Property Insights of 3-Nitro-1-phenyl-1H-1,2,4-triazol-5-ylamine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitro-1-phenyl-1H-1,2,4-triazol-5-ylamine. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitro-1-phenyl-1H-1,2,4-triazol-5-ylamine. Following Lipinski's Rule of Five, 3-Nitro-1-phenyl-1H-1,2,4-triazol-5-ylamine 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-Nitro-1-phenyl-1H-1,2,4-triazol-5-ylamine?
The CAS number of 3-Nitro-1-phenyl-1H-1,2,4-triazol-5-ylamine is 120952-69-4.
What is the molecular formula of 3-Nitro-1-phenyl-1H-1,2,4-triazol-5-ylamine?
The molecular formula of 3-Nitro-1-phenyl-1H-1,2,4-triazol-5-ylamine is C8H7N5O2.
What is the molecular weight of 3-Nitro-1-phenyl-1H-1,2,4-triazol-5-ylamine?
The molecular weight of 3-Nitro-1-phenyl-1H-1,2,4-triazol-5-ylamine is 205.06 g/mol.
Where can I buy 3-Nitro-1-phenyl-1H-1,2,4-triazol-5-ylamine?
You can request a quote for 3-Nitro-1-phenyl-1H-1,2,4-triazol-5-ylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitro-1-phenyl-1H-1,2,4-triazol-5-ylamine?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitro-1-phenyl-1H-1,2,4-triazol-5-ylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.