5-Methyl-2-phenyl-2H-1,2,3-triazole-4-acetonitrile
TL;DR: 5-Methyl-2-phenyl-2H-1,2,3-triazole-4-acetonitrile (CAS 13322-20-8) is a chemical compound with molecular formula C11H10N4 and molecular weight 198.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(5-methyl-2-phenyltriazol-4-yl)acetonitrile
Also Known As: 2-Phenyl-4-(cyanomethyl)-5-methyl-2H-1,2,3-triazole, 2-(5-methyl-2-phenyltriazol-4-yl)acetonitrile, 5-Methyl-2-phenyl-2H-1,2,3-triazole-4-acetonitrile, 4-cyanomethyl-5-methyl-2-phenyl-1,2,3-triazole, (5-methyl-2-phenyl-2H-[1,2,3]triazol-4-yl)-acetonitrile
| Molecular Formula | C11H10N4 |
|---|---|
| Molecular Weight | 198.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 198.09055 |
| Heavy Atoms | 15 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 13322-20-8 |
|---|---|
| SMILES | CC1=NN(N=C1CC#N)C2=CC=CC=C2 |
| InChIKey | QFAKSCQMWPGHGB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methyl-2-phenyl-2H-1,2,3-triazole-4-acetonitrile (CAS 13322-20-8), with molecular formula C11H10N4 and molecular weight 198.09 g/mol. IUPAC: 2-(5-methyl-2-phenyltriazol-4-yl)acetonitrile.
Chemical Property Profile of 5-Methyl-2-phenyl-2H-1,2,3-triazole-4-acetonitrile
Property Insights of 5-Methyl-2-phenyl-2H-1,2,3-triazole-4-acetonitrile
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Methyl-2-phenyl-2H-1,2,3-triazole-4-acetonitrile. With a topological polar surface area (TPSA) of 54.5 Ų, 5-Methyl-2-phenyl-2H-1,2,3-triazole-4-acetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methyl-2-phenyl-2H-1,2,3-triazole-4-acetonitrile has 0 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-Methyl-2-phenyl-2H-1,2,3-triazole-4-acetonitrile?
The CAS number of 5-Methyl-2-phenyl-2H-1,2,3-triazole-4-acetonitrile is 13322-20-8.
What is the molecular formula of 5-Methyl-2-phenyl-2H-1,2,3-triazole-4-acetonitrile?
The molecular formula of 5-Methyl-2-phenyl-2H-1,2,3-triazole-4-acetonitrile is C11H10N4.
What is the molecular weight of 5-Methyl-2-phenyl-2H-1,2,3-triazole-4-acetonitrile?
The molecular weight of 5-Methyl-2-phenyl-2H-1,2,3-triazole-4-acetonitrile is 198.09 g/mol.
Where can I buy 5-Methyl-2-phenyl-2H-1,2,3-triazole-4-acetonitrile?
You can request a quote for 5-Methyl-2-phenyl-2H-1,2,3-triazole-4-acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methyl-2-phenyl-2H-1,2,3-triazole-4-acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 5-Methyl-2-phenyl-2H-1,2,3-triazole-4-acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.