1-(4-acetylpyrazin-1-yl)ethanone

C8H10N2O2 — CID 14359230

IUPAC1-(4-acetylpyrazin-1-yl)ethanone
SMILESCC(=O)N1C=CN(C(C)=O)C=C1
InChIInChI=1S/C8H10N2O2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3-6H,1-2H3
InChIKeyIFMNPXDXNAANJY-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.64
Rot. Bonds

About 1-(4-acetylpyrazin-1-yl)ethanone

1-(4-acetylpyrazin-1-yl)ethanone (PubChem CID 14359230) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 1-(4-acetylpyrazin-1-yl)ethanone.

Molecular Properties

Compound Name1-(4-acetylpyrazin-1-yl)ethanone
PubChem CID14359230
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name1-(4-acetylpyrazin-1-yl)ethanone
SMILESCC(=O)N1C=CN(C(C)=O)C=C1
InChIInChI=1S/C8H10N2O2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3-6H,1-2H3
InChIKeyIFMNPXDXNAANJY-UHFFFAOYSA-N
XLogP0.64
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-acetylpyrazin-1-yl)ethanone?
The IUPAC name of 1-(4-acetylpyrazin-1-yl)ethanone (CID 14359230) is 1-(4-acetylpyrazin-1-yl)ethanone.
What is the SMILES notation for 1-(4-acetylpyrazin-1-yl)ethanone?
The canonical SMILES for 1-(4-acetylpyrazin-1-yl)ethanone is CC(=O)N1C=CN(C(C)=O)C=C1.
What is the InChIKey of 1-(4-acetylpyrazin-1-yl)ethanone?
The InChIKey is IFMNPXDXNAANJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-7(11)9-3-5-10(6-4-9)8(2)12/h3-6H,1-2H3.
What are the key properties of 1-(4-acetylpyrazin-1-yl)ethanone?
1-(4-acetylpyrazin-1-yl)ethanone has a molecular weight of 166.18 g/mol, XLogP of 0.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-acetylpyrazin-1-yl)ethanone is sourced from PubChem (CID 14359230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).