![2-[4-(2-fluorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetonitrile structure](/static/products/860/860784-78-7.png)
2-[4-(2-fluorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetonitrile
TL;DR: 2-[4-(2-fluorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetonitrile (CAS 860784-78-7) is a chemical compound with molecular formula C11H9FN4O and molecular weight 232.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2-fluorophenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]acetonitrile
Also Known As: 2-[4-(2-fluorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetonitrile, 2-[4-(2-fluorophenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]acetonitrile, 1H-1,2,4-Triazole-1-acetonitrile, 4-(2-fluorophenyl)-4,5-dihydro-3-methyl-5-oxo-
| Molecular Formula | C11H9FN4O |
|---|---|
| Molecular Weight | 232.08 g/mol |
| LogP | 1.0051 |
| Topological Polar Surface Area | 63.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 232.07603 |
| Heavy Atoms | 17 |
| Complexity | 650.22156 |
Chemical Identifiers
| CAS Number | 860784-78-7 |
|---|---|
| SMILES | CC1=NN(C(=O)N1C2=CC=CC=C2F)CC#N |
Product Overview
2-[4-(2-fluorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetonitrile (CAS 860784-78-7), with molecular formula C11H9FN4O and molecular weight 232.08 g/mol. IUPAC: 2-[4-(2-fluorophenyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]acetonitrile.
Chemical Property Profile of 2-[4-(2-fluorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetonitrile
Property Insights of 2-[4-(2-fluorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetonitrile
The XLogP value of 1.0051 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(2-fluorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetonitrile. The TPSA of 63.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(2-fluorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetonitrile. Following Lipinski's Rule of Five, 2-[4-(2-fluorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]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 2-[4-(2-fluorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetonitrile?
The CAS number of 2-[4-(2-fluorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetonitrile is 860784-78-7.
What is the molecular formula of 2-[4-(2-fluorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetonitrile?
The molecular formula of 2-[4-(2-fluorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetonitrile is C11H9FN4O.
What is the molecular weight of 2-[4-(2-fluorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetonitrile?
The molecular weight of 2-[4-(2-fluorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetonitrile is 232.08 g/mol.
Where can I buy 2-[4-(2-fluorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetonitrile?
You can request a quote for 2-[4-(2-fluorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(2-fluorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(2-fluorophenyl)-3-methyl-5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.