1-[1-[(4-fluorophenyl)methyl]triazol-4-yl]ethanone

C11H10FN3O — CID 75176210

IUPAC1-[1-[(4-fluorophenyl)methyl]triazol-4-yl]ethanone
SMILESCC(=O)c1cn(Cc2ccc(F)cc2)nn1
InChIInChI=1S/C11H10FN3O/c1-8(16)11-7-15(14-13-11)6-9-2-4-10(12)5-3-9/h2-5,7H,6H2,1H3
InChIKeyPWOPOMVMAIZNGN-UHFFFAOYSA-N
MW219.22 g/mol
LogP1.67
Rot. Bonds3

About 1-[1-[(4-fluorophenyl)methyl]triazol-4-yl]ethanone

1-[1-[(4-fluorophenyl)methyl]triazol-4-yl]ethanone (PubChem CID 75176210) has the molecular formula C11H10FN3O and a molecular weight of 219.22 g/mol. Its IUPAC name is 1-[1-[(4-fluorophenyl)methyl]triazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[1-[(4-fluorophenyl)methyl]triazol-4-yl]ethanone
PubChem CID75176210
Molecular FormulaC11H10FN3O
Molecular Weight219.22 g/mol
Exact Mass219.08
IUPAC Name1-[1-[(4-fluorophenyl)methyl]triazol-4-yl]ethanone
SMILESCC(=O)c1cn(Cc2ccc(F)cc2)nn1
InChIInChI=1S/C11H10FN3O/c1-8(16)11-7-15(14-13-11)6-9-2-4-10(12)5-3-9/h2-5,7H,6H2,1H3
InChIKeyPWOPOMVMAIZNGN-UHFFFAOYSA-N
XLogP1.67
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.22
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[1-[(4-fluorophenyl)methyl]triazol-4-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-fluorophenyl)methyl]triazol-4-yl]ethanone?
The IUPAC name of 1-[1-[(4-fluorophenyl)methyl]triazol-4-yl]ethanone (CID 75176210) is 1-[1-[(4-fluorophenyl)methyl]triazol-4-yl]ethanone.
What is the SMILES notation for 1-[1-[(4-fluorophenyl)methyl]triazol-4-yl]ethanone?
The canonical SMILES for 1-[1-[(4-fluorophenyl)methyl]triazol-4-yl]ethanone is CC(=O)c1cn(Cc2ccc(F)cc2)nn1.
What is the InChIKey of 1-[1-[(4-fluorophenyl)methyl]triazol-4-yl]ethanone?
The InChIKey is PWOPOMVMAIZNGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN3O/c1-8(16)11-7-15(14-13-11)6-9-2-4-10(12)5-3-9/h2-5,7H,6H2,1H3.
What are the key properties of 1-[1-[(4-fluorophenyl)methyl]triazol-4-yl]ethanone?
1-[1-[(4-fluorophenyl)methyl]triazol-4-yl]ethanone has a molecular weight of 219.22 g/mol, XLogP of 1.67, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-fluorophenyl)methyl]triazol-4-yl]ethanone is sourced from PubChem (CID 75176210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).