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

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Related Compounds

4-phenyl-6-propyl-1H-1,3,5-triazin-2-one
CID 156780121
4,6-diphenyl-1H-1,3,5-triazin-2-one
CID 135427225
but-2-yne;ethane;6-methyl-4-phenyl-1H-1,3,5-triazin-2-one
CID 162031267
6-(4-hydroxyphenyl)-4-phenyl-1H-1,3,5-triazin-2-one
CID 156780127
6-ethyl-4-phenyl-1H-pyrido[3,2-d]pyrimidin-2-one
CID 110181275
bis(2-ethyl-1H-benzimidazole);sulfane
CID 68768079
6-phenyl-1,3,5-triazine-2,4-diamine;1,3,5-triazinane-2,4,6-trione
CID 23514227
N,6-diethyl-5-iodo-2-phenylpyrimidin-4-amine
CID 66300272
5-bromo-N,6-diethyl-2-phenylpyrimidin-4-amine
CID 66301217
(3-phenyl-1H-1,2,4-triazol-5-yl)methanamine;hydrobromide
CID 146014408
4-ethyl-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742459
6,7-dimethyl-4-phenyl-3H-pteridin-2-one
CID 131856544

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).