1-(5,6-diphenylpyrazin-2-yl)propan-1-one

C19H16N2O — CID 11231543

IUPAC1-(5,6-diphenylpyrazin-2-yl)propan-1-one
SMILESCCC(=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C19H16N2O/c1-2-17(22)16-13-20-18(14-9-5-3-6-10-14)19(21-16)15-11-7-4-8-12-15/h3-13H,2H2,1H3
InChIKeyKGBMGPXIYHUDGO-UHFFFAOYSA-N
MW288.35 g/mol
LogP4.40
Rot. Bonds4

About 1-(5,6-diphenylpyrazin-2-yl)propan-1-one

1-(5,6-diphenylpyrazin-2-yl)propan-1-one (PubChem CID 11231543) has the molecular formula C19H16N2O and a molecular weight of 288.35 g/mol. Its IUPAC name is 1-(5,6-diphenylpyrazin-2-yl)propan-1-one.

Molecular Properties

Compound Name1-(5,6-diphenylpyrazin-2-yl)propan-1-one
PubChem CID11231543
Molecular FormulaC19H16N2O
Molecular Weight288.35 g/mol
Exact Mass288.13
IUPAC Name1-(5,6-diphenylpyrazin-2-yl)propan-1-one
SMILESCCC(=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1
InChIInChI=1S/C19H16N2O/c1-2-17(22)16-13-20-18(14-9-5-3-6-10-14)19(21-16)15-11-7-4-8-12-15/h3-13H,2H2,1H3
InChIKeyKGBMGPXIYHUDGO-UHFFFAOYSA-N
XLogP4.40
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-diphenylpyrazin-2-yl)propan-1-one?
The IUPAC name of 1-(5,6-diphenylpyrazin-2-yl)propan-1-one (CID 11231543) is 1-(5,6-diphenylpyrazin-2-yl)propan-1-one.
What is the SMILES notation for 1-(5,6-diphenylpyrazin-2-yl)propan-1-one?
The canonical SMILES for 1-(5,6-diphenylpyrazin-2-yl)propan-1-one is CCC(=O)c1cnc(-c2ccccc2)c(-c2ccccc2)n1.
What is the InChIKey of 1-(5,6-diphenylpyrazin-2-yl)propan-1-one?
The InChIKey is KGBMGPXIYHUDGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O/c1-2-17(22)16-13-20-18(14-9-5-3-6-10-14)19(21-16)15-11-7-4-8-12-15/h3-13H,2H2,1H3.
What are the key properties of 1-(5,6-diphenylpyrazin-2-yl)propan-1-one?
1-(5,6-diphenylpyrazin-2-yl)propan-1-one has a molecular weight of 288.35 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-diphenylpyrazin-2-yl)propan-1-one is sourced from PubChem (CID 11231543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).