1-(3,6-diphenylpyrazin-2-yl)ethanone

C18H14N2O — CID 15500396

IUPAC1-(3,6-diphenylpyrazin-2-yl)ethanone
SMILESCC(=O)c1nc(-c2ccccc2)cnc1-c1ccccc1
InChIInChI=1S/C18H14N2O/c1-13(21)17-18(15-10-6-3-7-11-15)19-12-16(20-17)14-8-4-2-5-9-14/h2-12H,1H3
InChIKeyHKERQMPKQWUXJK-UHFFFAOYSA-N
MW274.32 g/mol
LogP4.01
Rot. Bonds3

About 1-(3,6-diphenylpyrazin-2-yl)ethanone

1-(3,6-diphenylpyrazin-2-yl)ethanone (PubChem CID 15500396) has the molecular formula C18H14N2O and a molecular weight of 274.32 g/mol. Its IUPAC name is 1-(3,6-diphenylpyrazin-2-yl)ethanone.

Molecular Properties

Compound Name1-(3,6-diphenylpyrazin-2-yl)ethanone
PubChem CID15500396
Molecular FormulaC18H14N2O
Molecular Weight274.32 g/mol
Exact Mass274.11
IUPAC Name1-(3,6-diphenylpyrazin-2-yl)ethanone
SMILESCC(=O)c1nc(-c2ccccc2)cnc1-c1ccccc1
InChIInChI=1S/C18H14N2O/c1-13(21)17-18(15-10-6-3-7-11-15)19-12-16(20-17)14-8-4-2-5-9-14/h2-12H,1H3
InChIKeyHKERQMPKQWUXJK-UHFFFAOYSA-N
XLogP4.01
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-amino-6-phenylpyrazin-2-yl)ethanone
CID 58840776
2,3-diphenyl-5-(4-phenylphenyl)pyrazine
CID 58991364
1-(5-phenylpyrazin-2-yl)ethanone
CID 15500391
3-(methylamino)-6-phenylpyrazine-2-carboxamide
CID 10353723
N-(2-acetamidoethyl)-3-amino-6-phenylpyrazine-2-carboxamide
CID 10402476
1-(5-fluoro-2,6-diphenylpyrimidin-4-yl)ethanone
CID 138970267
2-methoxy-3,5-diphenylpyrazine
CID 13123633
1-[3-[5-methyl-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]phenyl]ethanone;molecular hydrogen
CID 161223720
methyl 5-phenyl-3-pyridin-2-ylpyrazine-2-carboxylate
CID 175789553
6-(4-acetylphenyl)-3-amino-N-phenylpyrazine-2-carboxamide
CID 59472127
1-(2-tert-butyl-5-phenylpyrimidin-4-yl)ethanone
CID 58810664
(E)-1-(3-amino-6-phenylpyrazin-2-yl)-3-(dimethylamino)prop-2-en-1-one
CID 58710587

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-diphenylpyrazin-2-yl)ethanone?
The IUPAC name of 1-(3,6-diphenylpyrazin-2-yl)ethanone (CID 15500396) is 1-(3,6-diphenylpyrazin-2-yl)ethanone.
What is the SMILES notation for 1-(3,6-diphenylpyrazin-2-yl)ethanone?
The canonical SMILES for 1-(3,6-diphenylpyrazin-2-yl)ethanone is CC(=O)c1nc(-c2ccccc2)cnc1-c1ccccc1.
What is the InChIKey of 1-(3,6-diphenylpyrazin-2-yl)ethanone?
The InChIKey is HKERQMPKQWUXJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O/c1-13(21)17-18(15-10-6-3-7-11-15)19-12-16(20-17)14-8-4-2-5-9-14/h2-12H,1H3.
What are the key properties of 1-(3,6-diphenylpyrazin-2-yl)ethanone?
1-(3,6-diphenylpyrazin-2-yl)ethanone has a molecular weight of 274.32 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-diphenylpyrazin-2-yl)ethanone is sourced from PubChem (CID 15500396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).