![N~3~-[(E)-(4-fluorophenyl)methylidene]-1H-1,2,4-triazole-3,5-diamine structure](/static/products/136/136493-52-2.png)
N~3~-[(E)-(4-fluorophenyl)methylidene]-1H-1,2,4-triazole-3,5-diamine
TL;DR: N~3~-[(E)-(4-fluorophenyl)methylidene]-1H-1,2,4-triazole-3,5-diamine (CAS 136493-52-2) is a chemical compound with molecular formula C9H8FN5 and molecular weight 205.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(E)-(4-fluorophenyl)methylideneamino]-1H-1,2,4-triazol-5-amine
Also Known As: BAS 00535218, BIM-0026609.P001, (E)-N3-(4-fluorobenzylidene)-1H-1,2,4-triazole-3,5-diamine, N*3*-(4-Fluoro-benzylidene)-1H-[1,2,4]triazole-3,5-diamine, 3-[(1E)-2-(4-fluorophenyl)-1-azavinyl]-1H-1,2,4-triazole-5-ylamine
| Molecular Formula | C9H8FN5 |
|---|---|
| Molecular Weight | 205.08 g/mol |
| LogP | 1.2766 |
| Topological Polar Surface Area | 79.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 205.07637 |
| Heavy Atoms | 15 |
| Complexity | 473.50287 |
Chemical Identifiers
| CAS Number | 136493-52-2 |
|---|---|
| SMILES | C1=CC(=CC=C1/C=N/C2=NNC(=N2)N)F |
Product Overview
N~3~-[(E)-(4-fluorophenyl)methylidene]-1H-1,2,4-triazole-3,5-diamine (CAS 136493-52-2), with molecular formula C9H8FN5 and molecular weight 205.08 g/mol. IUPAC: 3-[(E)-(4-fluorophenyl)methylideneamino]-1H-1,2,4-triazol-5-amine.
Chemical Property Profile of N~3~-[(E)-(4-fluorophenyl)methylidene]-1H-1,2,4-triazole-3,5-diamine
Property Insights of N~3~-[(E)-(4-fluorophenyl)methylidene]-1H-1,2,4-triazole-3,5-diamine
The XLogP value of 1.2766 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N~3~-[(E)-(4-fluorophenyl)methylidene]-1H-1,2,4-triazole-3,5-diamine. The TPSA of 79.95 Ų falls within the moderate polarity range, balancing permeability and solubility for N~3~-[(E)-(4-fluorophenyl)methylidene]-1H-1,2,4-triazole-3,5-diamine. Following Lipinski's Rule of Five, N~3~-[(E)-(4-fluorophenyl)methylidene]-1H-1,2,4-triazole-3,5-diamine 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 N~3~-[(E)-(4-fluorophenyl)methylidene]-1H-1,2,4-triazole-3,5-diamine?
The CAS number of N~3~-[(E)-(4-fluorophenyl)methylidene]-1H-1,2,4-triazole-3,5-diamine is 136493-52-2.
What is the molecular formula of N~3~-[(E)-(4-fluorophenyl)methylidene]-1H-1,2,4-triazole-3,5-diamine?
The molecular formula of N~3~-[(E)-(4-fluorophenyl)methylidene]-1H-1,2,4-triazole-3,5-diamine is C9H8FN5.
What is the molecular weight of N~3~-[(E)-(4-fluorophenyl)methylidene]-1H-1,2,4-triazole-3,5-diamine?
The molecular weight of N~3~-[(E)-(4-fluorophenyl)methylidene]-1H-1,2,4-triazole-3,5-diamine is 205.08 g/mol.
Where can I buy N~3~-[(E)-(4-fluorophenyl)methylidene]-1H-1,2,4-triazole-3,5-diamine?
You can request a quote for N~3~-[(E)-(4-fluorophenyl)methylidene]-1H-1,2,4-triazole-3,5-diamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N~3~-[(E)-(4-fluorophenyl)methylidene]-1H-1,2,4-triazole-3,5-diamine?
Yes, KEHONG BIO provides custom synthesis services for N~3~-[(E)-(4-fluorophenyl)methylidene]-1H-1,2,4-triazole-3,5-diamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.