1-(3,5,6-triphenyl-5H-1,2,4-triazin-2-yl)ethanone

C23H19N3O — CID 102438897

IUPAC1-(3,5,6-triphenyl-5H-1,2,4-triazin-2-yl)ethanone
SMILESCC(=O)N1N=C(c2ccccc2)C(c2ccccc2)N=C1c1ccccc1
InChIInChI=1S/C23H19N3O/c1-17(27)26-23(20-15-9-4-10-16-20)24-21(18-11-5-2-6-12-18)22(25-26)19-13-7-3-8-14-19/h2-16,21H,1H3
InChIKeyFTFTYIULWSCFNU-UHFFFAOYSA-N
MW353.43 g/mol
LogP4.44
Rot. Bonds3

About 1-(3,5,6-triphenyl-5H-1,2,4-triazin-2-yl)ethanone

1-(3,5,6-triphenyl-5H-1,2,4-triazin-2-yl)ethanone (PubChem CID 102438897) has the molecular formula C23H19N3O and a molecular weight of 353.43 g/mol. Its IUPAC name is 1-(3,5,6-triphenyl-5H-1,2,4-triazin-2-yl)ethanone.

Molecular Properties

Compound Name1-(3,5,6-triphenyl-5H-1,2,4-triazin-2-yl)ethanone
PubChem CID102438897
Molecular FormulaC23H19N3O
Molecular Weight353.43 g/mol
Exact Mass353.15
IUPAC Name1-(3,5,6-triphenyl-5H-1,2,4-triazin-2-yl)ethanone
SMILESCC(=O)N1N=C(c2ccccc2)C(c2ccccc2)N=C1c1ccccc1
InChIInChI=1S/C23H19N3O/c1-17(27)26-23(20-15-9-4-10-16-20)24-21(18-11-5-2-6-12-18)22(25-26)19-13-7-3-8-14-19/h2-16,21H,1H3
InChIKeyFTFTYIULWSCFNU-UHFFFAOYSA-N
XLogP4.44
TPSA45.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,4,5-triphenyl-2,4-dihydroimidazol-3-yl)ethanone
CID 54400884
ethane;2,4,5-triphenyl-4H-imidazole
CID 158444509
2-[[(5R)-5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl]sulfanyl]acetate
CID 7361115
N-[(2S)-3-acetyl-2-phenyl-2H-1,3,4-thiadiazol-5-yl]acetamide
CID 684427
(2S)-2-(4-fluorophenyl)-3-phenyl-2H-azirine
CID 138980263
1-(5-hydroxy-3,5-diphenyl-4H-pyrazol-1-yl)ethanone
CID 102387868
acetic acid;1,1'-biphenyl;zinc
CID 70522083
acetic acid;1,1'-biphenyl;ethane
CID 91464981
2,6-bis(4,5-diphenyl-4H-imidazol-2-yl)pyridine;vanadium;trichloride
CID 173244045
1,4-dimethyl-3,6-diphenyl-1,2,4,5-tetrazine
CID 621971
4-(4-phenyl-4H-imidazol-5-yl)benzene-1,2-diol
CID 138112507
[(5S)-5,6-diphenyl-2,5-dihydro-1,2,4-triazin-3-yl]hydrazine
CID 1276082

Frequently Asked Questions

What is the IUPAC name of 1-(3,5,6-triphenyl-5H-1,2,4-triazin-2-yl)ethanone?
The IUPAC name of 1-(3,5,6-triphenyl-5H-1,2,4-triazin-2-yl)ethanone (CID 102438897) is 1-(3,5,6-triphenyl-5H-1,2,4-triazin-2-yl)ethanone.
What is the SMILES notation for 1-(3,5,6-triphenyl-5H-1,2,4-triazin-2-yl)ethanone?
The canonical SMILES for 1-(3,5,6-triphenyl-5H-1,2,4-triazin-2-yl)ethanone is CC(=O)N1N=C(c2ccccc2)C(c2ccccc2)N=C1c1ccccc1.
What is the InChIKey of 1-(3,5,6-triphenyl-5H-1,2,4-triazin-2-yl)ethanone?
The InChIKey is FTFTYIULWSCFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O/c1-17(27)26-23(20-15-9-4-10-16-20)24-21(18-11-5-2-6-12-18)22(25-26)19-13-7-3-8-14-19/h2-16,21H,1H3.
What are the key properties of 1-(3,5,6-triphenyl-5H-1,2,4-triazin-2-yl)ethanone?
1-(3,5,6-triphenyl-5H-1,2,4-triazin-2-yl)ethanone has a molecular weight of 353.43 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5,6-triphenyl-5H-1,2,4-triazin-2-yl)ethanone is sourced from PubChem (CID 102438897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).