5-(2-fluorophenyl)-4H-1,2,4-triazol-3-amine
TL;DR: 5-(2-fluorophenyl)-4H-1,2,4-triazol-3-amine (CAS 313662-92-9) is a chemical compound with molecular formula C8H7FN4 and molecular weight 178.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(2-fluorophenyl)-1H-1,2,4-triazol-3-amine
Also Known As: 5-(2-fluorophenyl)-4H-1,2,4-triazol-3-amine, 5-(2-fluorophenyl)-1H-1,2,4-triazol-3-amine, 3-(2-fluorophenyl)-1h-1,2,4-triazol-5-amine, BAS 03657788, 5-Amino-3-(2-fluorophenyl)-1H-1,2,4-triazole
| Molecular Formula | C8H7FN4 |
|---|---|
| Molecular Weight | 178.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 67.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 178.06548 |
| Heavy Atoms | 13 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 313662-92-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NC(=NN2)N)F |
| InChIKey | PFTYWMOSGGHMSR-UHFFFAOYSA-N |
Product Overview
5-(2-fluorophenyl)-4H-1,2,4-triazol-3-amine (CAS 313662-92-9), with molecular formula C8H7FN4 and molecular weight 178.07 g/mol. IUPAC: 5-(2-fluorophenyl)-1H-1,2,4-triazol-3-amine.
Chemical Property Profile of 5-(2-fluorophenyl)-4H-1,2,4-triazol-3-amine
Property Insights of 5-(2-fluorophenyl)-4H-1,2,4-triazol-3-amine
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-fluorophenyl)-4H-1,2,4-triazol-3-amine. The TPSA of 67.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-fluorophenyl)-4H-1,2,4-triazol-3-amine. Following Lipinski's Rule of Five, 5-(2-fluorophenyl)-4H-1,2,4-triazol-3-amine has 2 hydrogen bond donor(s) and 4 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-(2-fluorophenyl)-4H-1,2,4-triazol-3-amine?
The CAS number of 5-(2-fluorophenyl)-4H-1,2,4-triazol-3-amine is 313662-92-9.
What is the molecular formula of 5-(2-fluorophenyl)-4H-1,2,4-triazol-3-amine?
The molecular formula of 5-(2-fluorophenyl)-4H-1,2,4-triazol-3-amine is C8H7FN4.
What is the molecular weight of 5-(2-fluorophenyl)-4H-1,2,4-triazol-3-amine?
The molecular weight of 5-(2-fluorophenyl)-4H-1,2,4-triazol-3-amine is 178.07 g/mol.
Where can I buy 5-(2-fluorophenyl)-4H-1,2,4-triazol-3-amine?
You can request a quote for 5-(2-fluorophenyl)-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-(2-fluorophenyl)-4H-1,2,4-triazol-3-amine?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-fluorophenyl)-4H-1,2,4-triazol-3-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.