1-(1-phenyltriazol-4-yl)ethanone

C10H9N3O — CID 5270531

IUPAC1-(1-phenyltriazol-4-yl)ethanone
SMILESCC(=O)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C10H9N3O/c1-8(14)10-7-13(12-11-10)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyXGJNBFOAUGABHH-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.47
Rot. Bonds2

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

1-(1-phenyltriazol-4-yl)ethanone (PubChem CID 5270531) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 1-(1-phenyltriazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(1-phenyltriazol-4-yl)ethanone
PubChem CID5270531
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name1-(1-phenyltriazol-4-yl)ethanone
SMILESCC(=O)c1cn(-c2ccccc2)nn1
InChIInChI=1S/C10H9N3O/c1-8(14)10-7-13(12-11-10)9-5-3-2-4-6-9/h2-7H,1H3
InChIKeyXGJNBFOAUGABHH-UHFFFAOYSA-N
XLogP1.47
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(1-phenyltriazol-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-phenyltriazol-4-yl)ethanone?
The IUPAC name of 1-(1-phenyltriazol-4-yl)ethanone (CID 5270531) is 1-(1-phenyltriazol-4-yl)ethanone.
What is the SMILES notation for 1-(1-phenyltriazol-4-yl)ethanone?
The canonical SMILES for 1-(1-phenyltriazol-4-yl)ethanone is CC(=O)c1cn(-c2ccccc2)nn1.
What is the InChIKey of 1-(1-phenyltriazol-4-yl)ethanone?
The InChIKey is XGJNBFOAUGABHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c1-8(14)10-7-13(12-11-10)9-5-3-2-4-6-9/h2-7H,1H3.
What are the key properties of 1-(1-phenyltriazol-4-yl)ethanone?
1-(1-phenyltriazol-4-yl)ethanone has a molecular weight of 187.20 g/mol, XLogP of 1.47, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenyltriazol-4-yl)ethanone is sourced from PubChem (CID 5270531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).