5-amino-1-(4-chlorophenyl)-1H-1,2,3-triazole-4-carbonitrile
TL;DR: 5-amino-1-(4-chlorophenyl)-1H-1,2,3-triazole-4-carbonitrile (CAS 98592-51-9) is a chemical compound with molecular formula C9H6ClN5 and molecular weight 219.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-1-(4-chlorophenyl)triazole-4-carbonitrile
Also Known As: 5-amino-1-(4-chlorophenyl)-1H-1,2,3-triazole-4-carbonitrile, 5-amino-1-(4-chlorophenyl)triazole-4-carbonitrile, AO-638/40907229
| Molecular Formula | C9H6ClN5 |
|---|---|
| Molecular Weight | 219.03 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 80.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 219.03117 |
| Heavy Atoms | 15 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 98592-51-9 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=C(N=N2)C#N)N)Cl |
| InChIKey | PFMYTGDAJQHFNR-UHFFFAOYSA-N |
Product Overview
5-amino-1-(4-chlorophenyl)-1H-1,2,3-triazole-4-carbonitrile (CAS 98592-51-9), with molecular formula C9H6ClN5 and molecular weight 219.03 g/mol. IUPAC: 5-amino-1-(4-chlorophenyl)triazole-4-carbonitrile.
Chemical Property Profile of 5-amino-1-(4-chlorophenyl)-1H-1,2,3-triazole-4-carbonitrile
Property Insights of 5-amino-1-(4-chlorophenyl)-1H-1,2,3-triazole-4-carbonitrile
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-amino-1-(4-chlorophenyl)-1H-1,2,3-triazole-4-carbonitrile. The TPSA of 80.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-amino-1-(4-chlorophenyl)-1H-1,2,3-triazole-4-carbonitrile. Following Lipinski's Rule of Five, 5-amino-1-(4-chlorophenyl)-1H-1,2,3-triazole-4-carbonitrile has 1 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-amino-1-(4-chlorophenyl)-1H-1,2,3-triazole-4-carbonitrile?
The CAS number of 5-amino-1-(4-chlorophenyl)-1H-1,2,3-triazole-4-carbonitrile is 98592-51-9.
What is the molecular formula of 5-amino-1-(4-chlorophenyl)-1H-1,2,3-triazole-4-carbonitrile?
The molecular formula of 5-amino-1-(4-chlorophenyl)-1H-1,2,3-triazole-4-carbonitrile is C9H6ClN5.
What is the molecular weight of 5-amino-1-(4-chlorophenyl)-1H-1,2,3-triazole-4-carbonitrile?
The molecular weight of 5-amino-1-(4-chlorophenyl)-1H-1,2,3-triazole-4-carbonitrile is 219.03 g/mol.
Where can I buy 5-amino-1-(4-chlorophenyl)-1H-1,2,3-triazole-4-carbonitrile?
You can request a quote for 5-amino-1-(4-chlorophenyl)-1H-1,2,3-triazole-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-amino-1-(4-chlorophenyl)-1H-1,2,3-triazole-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-amino-1-(4-chlorophenyl)-1H-1,2,3-triazole-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.