1-(1,4-dihydropyrazin-2-yl)ethanone

C6H8N2O — CID 53350347

IUPAC1-(1,4-dihydropyrazin-2-yl)ethanone
SMILESCC(=O)C1=CNC=CN1
InChIInChI=1S/C6H8N2O/c1-5(9)6-4-7-2-3-8-6/h2-4,7-8H,1H3
InChIKeyVZDCYMKSFBUUOE-UHFFFAOYSA-N
MW124.14 g/mol
LogP0.08
Rot. Bonds1

About 1-(1,4-dihydropyrazin-2-yl)ethanone

1-(1,4-dihydropyrazin-2-yl)ethanone (PubChem CID 53350347) has the molecular formula C6H8N2O and a molecular weight of 124.14 g/mol. Its IUPAC name is 1-(1,4-dihydropyrazin-2-yl)ethanone.

Molecular Properties

Compound Name1-(1,4-dihydropyrazin-2-yl)ethanone
PubChem CID53350347
Molecular FormulaC6H8N2O
Molecular Weight124.14 g/mol
Exact Mass124.06
IUPAC Name1-(1,4-dihydropyrazin-2-yl)ethanone
SMILESCC(=O)C1=CNC=CN1
InChIInChI=1S/C6H8N2O/c1-5(9)6-4-7-2-3-8-6/h2-4,7-8H,1H3
InChIKeyVZDCYMKSFBUUOE-UHFFFAOYSA-N
XLogP0.08
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.14
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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3-Amino-1-methyl-4(1H)-pyridinone
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3-Amino-1-ethyl-1,4-dihydropyridin-4-one
CID 71756677
3-Amino-2-fluoropyridin-4-ol
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3-(Methylamino)but-3-en-2-one
CID 20802483
3-Aminopyrrolinone
CID 129795814
3,5-Diaminopyridin-4-ol
CID 3023994
(Z)-4-amino-3-(difluoromethylamino)but-3-en-2-one
CID 170238984
3H-Pyrrol-3-one, 1,2-dihydro-2-methylene-
CID 11040630
Dimethylaminomethylene-2-pyrrolin-4-one
CID 129780161
N-[(Z)-1-amino-3-oxobut-1-en-2-yl]formamide
CID 135052314
3-amino-5-fluoro-1H-pyridin-4-one
CID 131026970

Frequently Asked Questions

What is the IUPAC name of 1-(1,4-dihydropyrazin-2-yl)ethanone?
The IUPAC name of 1-(1,4-dihydropyrazin-2-yl)ethanone (CID 53350347) is 1-(1,4-dihydropyrazin-2-yl)ethanone.
What is the SMILES notation for 1-(1,4-dihydropyrazin-2-yl)ethanone?
The canonical SMILES for 1-(1,4-dihydropyrazin-2-yl)ethanone is CC(=O)C1=CNC=CN1.
What is the InChIKey of 1-(1,4-dihydropyrazin-2-yl)ethanone?
The InChIKey is VZDCYMKSFBUUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O/c1-5(9)6-4-7-2-3-8-6/h2-4,7-8H,1H3.
What are the key properties of 1-(1,4-dihydropyrazin-2-yl)ethanone?
1-(1,4-dihydropyrazin-2-yl)ethanone has a molecular weight of 124.14 g/mol, XLogP of 0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,4-dihydropyrazin-2-yl)ethanone is sourced from PubChem (CID 53350347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).