1-naphthalen-1-yl-2-pyrazin-1-ium-1-ylethanone

C16H13N2O+ — CID 4142720

IUPAC1-naphthalen-1-yl-2-pyrazin-1-ium-1-ylethanone
SMILESO=C(C[n+]1ccncc1)c1cccc2ccccc12
InChIInChI=1S/C16H13N2O/c19-16(12-18-10-8-17-9-11-18)15-7-3-5-13-4-1-2-6-14(13)15/h1-11H,12H2/q+1
InChIKeyWFDCJDMHKOQSFC-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.41
Rot. Bonds3

About 1-naphthalen-1-yl-2-pyrazin-1-ium-1-ylethanone

1-naphthalen-1-yl-2-pyrazin-1-ium-1-ylethanone (PubChem CID 4142720) has the molecular formula C16H13N2O+ and a molecular weight of 249.29 g/mol. Its IUPAC name is 1-naphthalen-1-yl-2-pyrazin-1-ium-1-ylethanone.

Molecular Properties

Compound Name1-naphthalen-1-yl-2-pyrazin-1-ium-1-ylethanone
PubChem CID4142720
Molecular FormulaC16H13N2O+
Molecular Weight249.29 g/mol
Exact Mass249.10
IUPAC Name1-naphthalen-1-yl-2-pyrazin-1-ium-1-ylethanone
SMILESO=C(C[n+]1ccncc1)c1cccc2ccccc12
InChIInChI=1S/C16H13N2O/c19-16(12-18-10-8-17-9-11-18)15-7-3-5-13-4-1-2-6-14(13)15/h1-11H,12H2/q+1
InChIKeyWFDCJDMHKOQSFC-UHFFFAOYSA-N
XLogP2.41
TPSA33.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1-naphthalen-1-yl-2-pyrazin-1-ium-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-benzylpyridin-1-ium-1-yl)-1-naphthalen-1-ylethanone
CID 5154725
1-naphthalen-1-yl-2-(4-naphthalen-1-ylpyrimidin-1-ium-1-yl)ethanone;hydrobromide
CID 126958459
2-(3-methylpyridin-1-ium-1-yl)-1-naphthalen-1-ylethanone bromide
CID 44723833
1-phenyl-2-pyrazin-1-ium-1-ylethanone;hydrobromide
CID 126958750
2-[4-(3-chlorophenyl)pyrimidin-1-ium-1-yl]-1-naphthalen-1-ylethanone bromide
CID 45047342
2-[4-(2-fluorophenyl)pyrimidin-1-ium-1-yl]-1-naphthalen-1-ylethanone
CID 4205339
2-(3,5-dimethylpyridin-1-ium-1-yl)-1-naphthalen-1-ylethanone;hydrobromide
CID 126959105
2-[4-(3,4-dimethoxyphenyl)pyrimidin-1-ium-1-yl]-1-naphthalen-1-ylethanone bromide
CID 45047405
1-naphthalen-1-yl-3-pyrimidin-2-ylpropane-1,3-dione
CID 114552683
1-(2-chlorophenyl)-2-pyrazin-1-ium-1-ylethanone;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139735840
2-pyrazin-1-ium-1-yl-1-(2-sulfanylphenyl)ethanone;tetrakis(2,3,4,5,6-pentafluorophenyl)boranuide
CID 139737992
2-[3-[2-(dimethylamino)acetyl]pyridin-1-ium-1-yl]-1-naphthalen-1-ylethanone bromide
CID 170895833

Frequently Asked Questions

What is the IUPAC name of 1-naphthalen-1-yl-2-pyrazin-1-ium-1-ylethanone?
The IUPAC name of 1-naphthalen-1-yl-2-pyrazin-1-ium-1-ylethanone (CID 4142720) is 1-naphthalen-1-yl-2-pyrazin-1-ium-1-ylethanone.
What is the SMILES notation for 1-naphthalen-1-yl-2-pyrazin-1-ium-1-ylethanone?
The canonical SMILES for 1-naphthalen-1-yl-2-pyrazin-1-ium-1-ylethanone is O=C(C[n+]1ccncc1)c1cccc2ccccc12.
What is the InChIKey of 1-naphthalen-1-yl-2-pyrazin-1-ium-1-ylethanone?
The InChIKey is WFDCJDMHKOQSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N2O/c19-16(12-18-10-8-17-9-11-18)15-7-3-5-13-4-1-2-6-14(13)15/h1-11H,12H2/q+1.
What are the key properties of 1-naphthalen-1-yl-2-pyrazin-1-ium-1-ylethanone?
1-naphthalen-1-yl-2-pyrazin-1-ium-1-ylethanone has a molecular weight of 249.29 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-naphthalen-1-yl-2-pyrazin-1-ium-1-ylethanone is sourced from PubChem (CID 4142720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).