![(E)-[(p-chlorophenyl)methylene]-4H-1,2,4-triazol-3-ylamine structure](/static/products/529/5295-14-7.png)
(E)-[(p-chlorophenyl)methylene]-4H-1,2,4-triazol-3-ylamine
TL;DR: (E)-[(p-chlorophenyl)methylene]-4H-1,2,4-triazol-3-ylamine (CAS 5295-14-7) is a chemical compound with molecular formula C9H7ClN4 and molecular weight 206.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine
Also Known As: F3161-0121, 1-(4-chlorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine, 1-(4-chlorophenyl)-N-(2H-1,2,4-triazol-3-yl)methanimine, N-[(4-chlorophenyl)methylidene]-4H-1,2,4-triazol-3-amine, (E)-[(p-chlorophenyl)methylene]-4H-1,2,4-triazol-3-ylamine
| Molecular Formula | C9H7ClN4 |
|---|---|
| Molecular Weight | 206.04 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 53.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 206.03592 |
| Heavy Atoms | 14 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 5295-14-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C=NC2=NC=NN2)Cl |
| InChIKey | WQPATOORNHONHN-UHFFFAOYSA-N |
Product Overview
(E)-[(p-chlorophenyl)methylene]-4H-1,2,4-triazol-3-ylamine (CAS 5295-14-7), with molecular formula C9H7ClN4 and molecular weight 206.04 g/mol. IUPAC: 1-(4-chlorophenyl)-N-(1H-1,2,4-triazol-5-yl)methanimine.
Chemical Property Profile of (E)-[(p-chlorophenyl)methylene]-4H-1,2,4-triazol-3-ylamine
Property Insights of (E)-[(p-chlorophenyl)methylene]-4H-1,2,4-triazol-3-ylamine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-[(p-chlorophenyl)methylene]-4H-1,2,4-triazol-3-ylamine. With a topological polar surface area (TPSA) of 53.9 Ų, (E)-[(p-chlorophenyl)methylene]-4H-1,2,4-triazol-3-ylamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-[(p-chlorophenyl)methylene]-4H-1,2,4-triazol-3-ylamine has 1 hydrogen bond donor(s) and 3 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 (E)-[(p-chlorophenyl)methylene]-4H-1,2,4-triazol-3-ylamine?
The CAS number of (E)-[(p-chlorophenyl)methylene]-4H-1,2,4-triazol-3-ylamine is 5295-14-7.
What is the molecular formula of (E)-[(p-chlorophenyl)methylene]-4H-1,2,4-triazol-3-ylamine?
The molecular formula of (E)-[(p-chlorophenyl)methylene]-4H-1,2,4-triazol-3-ylamine is C9H7ClN4.
What is the molecular weight of (E)-[(p-chlorophenyl)methylene]-4H-1,2,4-triazol-3-ylamine?
The molecular weight of (E)-[(p-chlorophenyl)methylene]-4H-1,2,4-triazol-3-ylamine is 206.04 g/mol.
Where can I buy (E)-[(p-chlorophenyl)methylene]-4H-1,2,4-triazol-3-ylamine?
You can request a quote for (E)-[(p-chlorophenyl)methylene]-4H-1,2,4-triazol-3-ylamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-[(p-chlorophenyl)methylene]-4H-1,2,4-triazol-3-ylamine?
Yes, KEHONG BIO provides custom synthesis services for (E)-[(p-chlorophenyl)methylene]-4H-1,2,4-triazol-3-ylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.