1-(2,3-dihydropyrazin-5-yl)ethanone

C6H8N2O — CID 89066617

IUPAC1-(2,3-dihydropyrazin-5-yl)ethanone
SMILESCC(=O)C1=NCCN=C1
InChIInChI=1S/C6H8N2O/c1-5(9)6-4-7-2-3-8-6/h4H,2-3H2,1H3
InChIKeyVKACQGATHPIGDE-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.10
Rot. Bonds1

About 1-(2,3-dihydropyrazin-5-yl)ethanone

1-(2,3-dihydropyrazin-5-yl)ethanone (PubChem CID 89066617) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 1-(2,3-dihydropyrazin-5-yl)ethanone.

Molecular Properties

Compound Name1-(2,3-dihydropyrazin-5-yl)ethanone
PubChem CID89066617
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name1-(2,3-dihydropyrazin-5-yl)ethanone
SMILESCC(=O)C1=NCCN=C1
InChIInChI=1S/C6H8N2O/c1-5(9)6-4-7-2-3-8-6/h4H,2-3H2,1H3
InChIKeyVKACQGATHPIGDE-UHFFFAOYSA-N
XLogP0.10
TPSA41.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydropyrazin-5-yl)ethanone?
The IUPAC name of 1-(2,3-dihydropyrazin-5-yl)ethanone (CID 89066617) is 1-(2,3-dihydropyrazin-5-yl)ethanone.
What is the SMILES notation for 1-(2,3-dihydropyrazin-5-yl)ethanone?
The canonical SMILES for 1-(2,3-dihydropyrazin-5-yl)ethanone is CC(=O)C1=NCCN=C1.
What is the InChIKey of 1-(2,3-dihydropyrazin-5-yl)ethanone?
The InChIKey is VKACQGATHPIGDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-5(9)6-4-7-2-3-8-6/h4H,2-3H2,1H3.
What are the key properties of 1-(2,3-dihydropyrazin-5-yl)ethanone?
1-(2,3-dihydropyrazin-5-yl)ethanone has a molecular weight of 124.14 g/mol, XLogP of 0.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydropyrazin-5-yl)ethanone is sourced from PubChem (CID 89066617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).