6-ethyl-4-phenyl-1H-1,3,5-triazin-2-one

C11H11N3O — CID 135552035

IUPAC6-ethyl-4-phenyl-1H-1,3,5-triazin-2-one
SMILESCCc1nc(-c2ccccc2)nc(=O)[nH]1
InChIInChI=1S/C11H11N3O/c1-2-9-12-10(14-11(15)13-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,12,13,14,15)
InChIKeyOEERUNRSSABHEA-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.39
Rot. Bonds2

About 6-ethyl-4-phenyl-1H-1,3,5-triazin-2-one

6-ethyl-4-phenyl-1H-1,3,5-triazin-2-one (PubChem CID 135552035) has the molecular formula C11H11N3O and a molecular weight of 201.23 g/mol. Its IUPAC name is 6-ethyl-4-phenyl-1H-1,3,5-triazin-2-one.

Molecular Properties

Compound Name6-ethyl-4-phenyl-1H-1,3,5-triazin-2-one
PubChem CID135552035
Molecular FormulaC11H11N3O
Molecular Weight201.23 g/mol
Exact Mass201.09
IUPAC Name6-ethyl-4-phenyl-1H-1,3,5-triazin-2-one
SMILESCCc1nc(-c2ccccc2)nc(=O)[nH]1
InChIInChI=1S/C11H11N3O/c1-2-9-12-10(14-11(15)13-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,12,13,14,15)
InChIKeyOEERUNRSSABHEA-UHFFFAOYSA-N
XLogP1.39
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-ethyl-4-phenyl-1H-1,3,5-triazin-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 6-ethyl-4-phenyl-1H-1,3,5-triazin-2-one?
The IUPAC name of 6-ethyl-4-phenyl-1H-1,3,5-triazin-2-one (CID 135552035) is 6-ethyl-4-phenyl-1H-1,3,5-triazin-2-one.
What is the SMILES notation for 6-ethyl-4-phenyl-1H-1,3,5-triazin-2-one?
The canonical SMILES for 6-ethyl-4-phenyl-1H-1,3,5-triazin-2-one is CCc1nc(-c2ccccc2)nc(=O)[nH]1.
What is the InChIKey of 6-ethyl-4-phenyl-1H-1,3,5-triazin-2-one?
The InChIKey is OEERUNRSSABHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O/c1-2-9-12-10(14-11(15)13-9)8-6-4-3-5-7-8/h3-7H,2H2,1H3,(H,12,13,14,15).
What are the key properties of 6-ethyl-4-phenyl-1H-1,3,5-triazin-2-one?
6-ethyl-4-phenyl-1H-1,3,5-triazin-2-one has a molecular weight of 201.23 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-phenyl-1H-1,3,5-triazin-2-one is sourced from PubChem (CID 135552035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).