1-(1-benzyltriazol-4-yl)ethanone

C11H11N3O — CID 11622528

IUPAC1-(1-benzyltriazol-4-yl)ethanone
SMILESCC(=O)c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C11H11N3O/c1-9(15)11-8-14(13-12-11)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChIKeyXDYCFDHINZDZPZ-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.53
Rot. Bonds3

About 1-(1-benzyltriazol-4-yl)ethanone

1-(1-benzyltriazol-4-yl)ethanone (PubChem CID 11622528) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 1-(1-benzyltriazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-benzyltriazol-4-yl)ethanone
PubChem CID11622528
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name1-(1-benzyltriazol-4-yl)ethanone
SMILESCC(=O)c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C11H11N3O/c1-9(15)11-8-14(13-12-11)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3
InChIKeyXDYCFDHINZDZPZ-UHFFFAOYSA-N
XLogP1.53
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1-benzyltriazol-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-benzyltriazol-4-yl)ethanone?
The IUPAC name of 1-(1-benzyltriazol-4-yl)ethanone (CID 11622528) is 1-(1-benzyltriazol-4-yl)ethanone.
What is the SMILES notation for 1-(1-benzyltriazol-4-yl)ethanone?
The canonical SMILES for 1-(1-benzyltriazol-4-yl)ethanone is CC(=O)c1cn(Cc2ccccc2)nn1.
What is the InChIKey of 1-(1-benzyltriazol-4-yl)ethanone?
The InChIKey is XDYCFDHINZDZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-9(15)11-8-14(13-12-11)7-10-5-3-2-4-6-10/h2-6,8H,7H2,1H3.
What are the key properties of 1-(1-benzyltriazol-4-yl)ethanone?
1-(1-benzyltriazol-4-yl)ethanone has a molecular weight of 201.23 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyltriazol-4-yl)ethanone is sourced from PubChem (CID 11622528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).