1-(5,6-dimethylpyrazin-2-yl)ethanone

C8H10N2O — CID 53423848

IUPAC1-(5,6-dimethylpyrazin-2-yl)ethanone
SMILESCC(=O)c1cnc(C)c(C)n1
InChIInChI=1S/C8H10N2O/c1-5-6(2)10-8(4-9-5)7(3)11/h4H,1-3H3
InChIKeyPHIMZXOSIVXOQK-UHFFFAOYSA-N
MW150.18 g/mol
LogP1.30
Rot. Bonds1

About 1-(5,6-dimethylpyrazin-2-yl)ethanone

1-(5,6-dimethylpyrazin-2-yl)ethanone (PubChem CID 53423848) has the molecular formula C8H10N2O and a molecular weight of 150.18 g/mol. Its IUPAC name is 1-(5,6-dimethylpyrazin-2-yl)ethanone.

Molecular Properties

Compound Name1-(5,6-dimethylpyrazin-2-yl)ethanone
PubChem CID53423848
Molecular FormulaC8H10N2O
Molecular Weight150.18 g/mol
Exact Mass150.08
IUPAC Name1-(5,6-dimethylpyrazin-2-yl)ethanone
SMILESCC(=O)c1cnc(C)c(C)n1
InChIInChI=1S/C8H10N2O/c1-5-6(2)10-8(4-9-5)7(3)11/h4H,1-3H3
InChIKeyPHIMZXOSIVXOQK-UHFFFAOYSA-N
XLogP1.30
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.18
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Acetylpyrazine
CID 30914
2-Acetyl-3-methylpyrazine
CID 32093
2-Acetyl-3-ethylpyrazine
CID 61918
2-Acetyl-3,5-dimethylpyrazine
CID 104721
2-Acetyl-5-methylpyrazine
CID 30915
1-(6-Methylpyrazin-2-yl)ethan-1-one
CID 527821
2-Acetyl-3,6-dimethylpyrazine
CID 104722
2-Acetyl-5-ethylpyrazine
CID 21186827
2-Bromo-1-(pyrazin-2-yl)ethan-1-one hydrobromide
CID 22498773
2-(Methylsulfinylacetyl) pyrazine
CID 482259
1-(Pyrazin-2-yl)butan-1-one
CID 316819
1-(Pyrazin-2-yl)propan-1-one
CID 546029

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethylpyrazin-2-yl)ethanone?
The IUPAC name of 1-(5,6-dimethylpyrazin-2-yl)ethanone (CID 53423848) is 1-(5,6-dimethylpyrazin-2-yl)ethanone.
What is the SMILES notation for 1-(5,6-dimethylpyrazin-2-yl)ethanone?
The canonical SMILES for 1-(5,6-dimethylpyrazin-2-yl)ethanone is CC(=O)c1cnc(C)c(C)n1.
What is the InChIKey of 1-(5,6-dimethylpyrazin-2-yl)ethanone?
The InChIKey is PHIMZXOSIVXOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O/c1-5-6(2)10-8(4-9-5)7(3)11/h4H,1-3H3.
What are the key properties of 1-(5,6-dimethylpyrazin-2-yl)ethanone?
1-(5,6-dimethylpyrazin-2-yl)ethanone has a molecular weight of 150.18 g/mol, XLogP of 1.30, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethylpyrazin-2-yl)ethanone is sourced from PubChem (CID 53423848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).