(5-Phenyl-4H-1,2,4-triazol-3-yl)acetonitrile
TL;DR: (5-Phenyl-4H-1,2,4-triazol-3-yl)acetonitrile (CAS 88382-49-4) is a chemical compound with molecular formula C10H8N4 and molecular weight 184.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetonitrile
Also Known As: (5-Phenyl-4H-1,2,4-triazol-3-yl)acetonitrile, 2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetonitrile, 2-(5-phenyl-4H-1,2,4-triazol-3-yl)acetonitrile, 2-(5-Phenyl-1H-1,2,4-triazol-3-yl)acetonitrile, ZERO/005729
| Molecular Formula | C10H8N4 |
|---|---|
| Molecular Weight | 184.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 65.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.07489 |
| Heavy Atoms | 14 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 88382-49-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NNC(=N2)CC#N |
| InChIKey | DDXUUSTVPHVENY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(5-Phenyl-4H-1,2,4-triazol-3-yl)acetonitrile (CAS 88382-49-4), with molecular formula C10H8N4 and molecular weight 184.07 g/mol. IUPAC: 2-(3-phenyl-1H-1,2,4-triazol-5-yl)acetonitrile.
Chemical Property Profile of (5-Phenyl-4H-1,2,4-triazol-3-yl)acetonitrile
Property Insights of (5-Phenyl-4H-1,2,4-triazol-3-yl)acetonitrile
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5-Phenyl-4H-1,2,4-triazol-3-yl)acetonitrile. The TPSA of 65.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (5-Phenyl-4H-1,2,4-triazol-3-yl)acetonitrile. Following Lipinski's Rule of Five, (5-Phenyl-4H-1,2,4-triazol-3-yl)acetonitrile 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 (5-Phenyl-4H-1,2,4-triazol-3-yl)acetonitrile?
The CAS number of (5-Phenyl-4H-1,2,4-triazol-3-yl)acetonitrile is 88382-49-4.
What is the molecular formula of (5-Phenyl-4H-1,2,4-triazol-3-yl)acetonitrile?
The molecular formula of (5-Phenyl-4H-1,2,4-triazol-3-yl)acetonitrile is C10H8N4.
What is the molecular weight of (5-Phenyl-4H-1,2,4-triazol-3-yl)acetonitrile?
The molecular weight of (5-Phenyl-4H-1,2,4-triazol-3-yl)acetonitrile is 184.07 g/mol.
Where can I buy (5-Phenyl-4H-1,2,4-triazol-3-yl)acetonitrile?
You can request a quote for (5-Phenyl-4H-1,2,4-triazol-3-yl)acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5-Phenyl-4H-1,2,4-triazol-3-yl)acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for (5-Phenyl-4H-1,2,4-triazol-3-yl)acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.