3-(4-phenyltriazol-1-yl)oxolan-2-one

C12H11N3O2 — CID 53474589

IUPAC3-(4-phenyltriazol-1-yl)oxolan-2-one
SMILESO=C1OCCC1n1cc(-c2ccccc2)nn1
InChIInChI=1S/C12H11N3O2/c16-12-11(6-7-17-12)15-8-10(13-14-15)9-4-2-1-3-5-9/h1-5,8,11H,6-7H2
InChIKeyIDCXIPUWCDAKED-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.43
Rot. Bonds2

About 3-(4-phenyltriazol-1-yl)oxolan-2-one

3-(4-phenyltriazol-1-yl)oxolan-2-one (PubChem CID 53474589) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 3-(4-phenyltriazol-1-yl)oxolan-2-one.

Molecular Properties

Compound Name3-(4-phenyltriazol-1-yl)oxolan-2-one
PubChem CID53474589
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name3-(4-phenyltriazol-1-yl)oxolan-2-one
SMILESO=C1OCCC1n1cc(-c2ccccc2)nn1
InChIInChI=1S/C12H11N3O2/c16-12-11(6-7-17-12)15-8-10(13-14-15)9-4-2-1-3-5-9/h1-5,8,11H,6-7H2
InChIKeyIDCXIPUWCDAKED-UHFFFAOYSA-N
XLogP1.43
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-(4-phenyltriazol-1-yl)oxolan-2-one 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 3-(4-phenyltriazol-1-yl)oxolan-2-one?
The IUPAC name of 3-(4-phenyltriazol-1-yl)oxolan-2-one (CID 53474589) is 3-(4-phenyltriazol-1-yl)oxolan-2-one.
What is the SMILES notation for 3-(4-phenyltriazol-1-yl)oxolan-2-one?
The canonical SMILES for 3-(4-phenyltriazol-1-yl)oxolan-2-one is O=C1OCCC1n1cc(-c2ccccc2)nn1.
What is the InChIKey of 3-(4-phenyltriazol-1-yl)oxolan-2-one?
The InChIKey is IDCXIPUWCDAKED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c16-12-11(6-7-17-12)15-8-10(13-14-15)9-4-2-1-3-5-9/h1-5,8,11H,6-7H2.
What are the key properties of 3-(4-phenyltriazol-1-yl)oxolan-2-one?
3-(4-phenyltriazol-1-yl)oxolan-2-one has a molecular weight of 229.24 g/mol, XLogP of 1.43, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-phenyltriazol-1-yl)oxolan-2-one is sourced from PubChem (CID 53474589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).