![3-[(2-chlorophenyl)methylideneamino]-1H-1,2,4-triazol-5-amine structure](/static/products/5631/5631-40-3.webp)
3-[(2-chlorophenyl)methylideneamino]-1H-1,2,4-triazol-5-amine
TL;DR: 3-[(2-chlorophenyl)methylideneamino]-1H-1,2,4-triazol-5-amine (CAS 5631-40-3) is a chemical compound with molecular formula C9H8ClN5 and molecular weight 221.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-chlorophenyl)methylideneamino]-1H-1,2,4-triazol-5-amine
Also Known As: 3-[(2-chlorophenyl)methylideneamino]-1H-1,2,4-triazol-5-amine, 3-[(E)-(2-chlorophenyl)methylideneamino]-1H-1,2,4-triazol-5-amine
| Molecular Formula | C9H8ClN5 |
|---|---|
| Molecular Weight | 221.05 g/mol |
| LogP | 1.7909 |
| Topological Polar Surface Area | 79.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.04683 |
| Heavy Atoms | 15 |
| Complexity | 490.75287 |
Chemical Identifiers
| CAS Number | 5631-40-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=NC2=NNC(=N2)N)Cl |
Product Overview
3-[(2-chlorophenyl)methylideneamino]-1H-1,2,4-triazol-5-amine (CAS 5631-40-3), with molecular formula C9H8ClN5 and molecular weight 221.05 g/mol. IUPAC: 3-[(2-chlorophenyl)methylideneamino]-1H-1,2,4-triazol-5-amine.
Chemical Property Profile of 3-[(2-chlorophenyl)methylideneamino]-1H-1,2,4-triazol-5-amine
Property Insights of 3-[(2-chlorophenyl)methylideneamino]-1H-1,2,4-triazol-5-amine
The XLogP value of 1.7909 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(2-chlorophenyl)methylideneamino]-1H-1,2,4-triazol-5-amine. The TPSA of 79.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(2-chlorophenyl)methylideneamino]-1H-1,2,4-triazol-5-amine. Following Lipinski's Rule of Five, 3-[(2-chlorophenyl)methylideneamino]-1H-1,2,4-triazol-5-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 3-[(2-chlorophenyl)methylideneamino]-1H-1,2,4-triazol-5-amine?
The CAS number of 3-[(2-chlorophenyl)methylideneamino]-1H-1,2,4-triazol-5-amine is 5631-40-3.
What is the molecular formula of 3-[(2-chlorophenyl)methylideneamino]-1H-1,2,4-triazol-5-amine?
The molecular formula of 3-[(2-chlorophenyl)methylideneamino]-1H-1,2,4-triazol-5-amine is C9H8ClN5.
What is the molecular weight of 3-[(2-chlorophenyl)methylideneamino]-1H-1,2,4-triazol-5-amine?
The molecular weight of 3-[(2-chlorophenyl)methylideneamino]-1H-1,2,4-triazol-5-amine is 221.05 g/mol.
Where can I buy 3-[(2-chlorophenyl)methylideneamino]-1H-1,2,4-triazol-5-amine?
You can request a quote for 3-[(2-chlorophenyl)methylideneamino]-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 3-[(2-chlorophenyl)methylideneamino]-1H-1,2,4-triazol-5-amine?
Yes, KEHONG BIO provides custom synthesis services for 3-[(2-chlorophenyl)methylideneamino]-1H-1,2,4-triazol-5-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.