1-(3-acetylpyrazin-2-yl)ethanone

C8H8N2O2 — CID 22166162

IUPAC1-(3-acetylpyrazin-2-yl)ethanone
SMILESCC(=O)c1nccnc1C(C)=O
InChIInChI=1S/C8H8N2O2/c1-5(11)7-8(6(2)12)10-4-3-9-7/h3-4H,1-2H3
InChIKeyYZIXRQDYIFWJOP-UHFFFAOYSA-N
MW164.16 g/mol
LogP0.88
Rot. Bonds2

About 1-(3-acetylpyrazin-2-yl)ethanone

1-(3-acetylpyrazin-2-yl)ethanone (PubChem CID 22166162) has the molecular formula C8H8N2O2 and a molecular weight of 164.16 g/mol. Its IUPAC name is 1-(3-acetylpyrazin-2-yl)ethanone.

Molecular Properties

Compound Name1-(3-acetylpyrazin-2-yl)ethanone
PubChem CID22166162
Molecular FormulaC8H8N2O2
Molecular Weight164.16 g/mol
Exact Mass164.06
IUPAC Name1-(3-acetylpyrazin-2-yl)ethanone
SMILESCC(=O)c1nccnc1C(C)=O
InChIInChI=1S/C8H8N2O2/c1-5(11)7-8(6(2)12)10-4-3-9-7/h3-4H,1-2H3
InChIKeyYZIXRQDYIFWJOP-UHFFFAOYSA-N
XLogP0.88
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.16
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-acetylpyrazin-2-yl)ethanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3-acetylpyrazin-2-yl)ethanone?
The IUPAC name of 1-(3-acetylpyrazin-2-yl)ethanone (CID 22166162) is 1-(3-acetylpyrazin-2-yl)ethanone.
What is the SMILES notation for 1-(3-acetylpyrazin-2-yl)ethanone?
The canonical SMILES for 1-(3-acetylpyrazin-2-yl)ethanone is CC(=O)c1nccnc1C(C)=O.
What is the InChIKey of 1-(3-acetylpyrazin-2-yl)ethanone?
The InChIKey is YZIXRQDYIFWJOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O2/c1-5(11)7-8(6(2)12)10-4-3-9-7/h3-4H,1-2H3.
What are the key properties of 1-(3-acetylpyrazin-2-yl)ethanone?
1-(3-acetylpyrazin-2-yl)ethanone has a molecular weight of 164.16 g/mol, XLogP of 0.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-acetylpyrazin-2-yl)ethanone is sourced from PubChem (CID 22166162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).