1-Phenyl-5-amino-1,2,3-triazole-4-nitrile
TL;DR: 1-Phenyl-5-amino-1,2,3-triazole-4-nitrile (CAS 20271-39-0) is a chemical compound with molecular formula C9H7N5 and molecular weight 185.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-amino-1-phenyltriazole-4-carbonitrile
Also Known As: 1-Phenyl-5-amino-1,2,3-triazole-4-nitrile, 5-amino-1-phenyltriazole-4-carbonitrile, 5-amino-1-phenyl-1H-1,2,3-triazole-4-carbonitrile, J2.930.149B, 5-amino-1-phenyl-1,2,3-triazole-4-carbonitrile
| Molecular Formula | C9H7N5 |
|---|---|
| Molecular Weight | 185.07 g/mol |
| LogP | 0.72118 |
| Topological Polar Surface Area | 80.52 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 185.07014 |
| Heavy Atoms | 14 |
| Complexity | 479.6486 |
Chemical Identifiers
| CAS Number | 20271-39-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=C(N=N2)C#N)N |
Product Overview
1-Phenyl-5-amino-1,2,3-triazole-4-nitrile (CAS 20271-39-0), with molecular formula C9H7N5 and molecular weight 185.07 g/mol. IUPAC: 5-amino-1-phenyltriazole-4-carbonitrile.
Chemical Property Profile of 1-Phenyl-5-amino-1,2,3-triazole-4-nitrile
Property Insights of 1-Phenyl-5-amino-1,2,3-triazole-4-nitrile
The XLogP value of 0.72118 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Phenyl-5-amino-1,2,3-triazole-4-nitrile. The TPSA of 80.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Phenyl-5-amino-1,2,3-triazole-4-nitrile. Following Lipinski's Rule of Five, 1-Phenyl-5-amino-1,2,3-triazole-4-nitrile 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 1-Phenyl-5-amino-1,2,3-triazole-4-nitrile?
The CAS number of 1-Phenyl-5-amino-1,2,3-triazole-4-nitrile is 20271-39-0.
What is the molecular formula of 1-Phenyl-5-amino-1,2,3-triazole-4-nitrile?
The molecular formula of 1-Phenyl-5-amino-1,2,3-triazole-4-nitrile is C9H7N5.
What is the molecular weight of 1-Phenyl-5-amino-1,2,3-triazole-4-nitrile?
The molecular weight of 1-Phenyl-5-amino-1,2,3-triazole-4-nitrile is 185.07 g/mol.
Where can I buy 1-Phenyl-5-amino-1,2,3-triazole-4-nitrile?
You can request a quote for 1-Phenyl-5-amino-1,2,3-triazole-4-nitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenyl-5-amino-1,2,3-triazole-4-nitrile?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenyl-5-amino-1,2,3-triazole-4-nitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.