1-[2-(pyrazin-2-ylmethylamino)propyl]pyrrolidin-2-one

C12H18N4O — CID 55109743

IUPAC1-[2-(pyrazin-2-ylmethylamino)propyl]pyrrolidin-2-one
SMILESCC(CN1CCCC1=O)NCc1cnccn1
InChIInChI=1S/C12H18N4O/c1-10(9-16-6-2-3-12(16)17)15-8-11-7-13-4-5-14-11/h4-5,7,10,15H,2-3,6,8-9H2,1H3
InChIKeyYFZZMLVRRNSMGS-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.58
Rot. Bonds5

About 1-[2-(pyrazin-2-ylmethylamino)propyl]pyrrolidin-2-one

1-[2-(pyrazin-2-ylmethylamino)propyl]pyrrolidin-2-one (PubChem CID 55109743) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 1-[2-(pyrazin-2-ylmethylamino)propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(pyrazin-2-ylmethylamino)propyl]pyrrolidin-2-one
PubChem CID55109743
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name1-[2-(pyrazin-2-ylmethylamino)propyl]pyrrolidin-2-one
SMILESCC(CN1CCCC1=O)NCc1cnccn1
InChIInChI=1S/C12H18N4O/c1-10(9-16-6-2-3-12(16)17)15-8-11-7-13-4-5-14-11/h4-5,7,10,15H,2-3,6,8-9H2,1H3
InChIKeyYFZZMLVRRNSMGS-UHFFFAOYSA-N
XLogP0.58
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(1,3-thiazol-5-ylmethylamino)propyl]pyrrolidin-2-one
CID 62758526
1-[2-[(2-methyl-1H-imidazol-5-yl)methylamino]propyl]pyrrolidin-2-one
CID 55114701
N-(pyrazin-2-ylmethyl)butan-2-amine
CID 61023237
1-[2-[(2,4,6-trimethylphenyl)methylamino]propyl]pyrrolidin-2-one
CID 60936524
1-[2-[methyl-[(2R)-1-pyrazin-2-ylpropan-2-yl]amino]ethyl]pyrrolidin-2-one
CID 124750591
1-[2-[(4-ethoxyphenyl)methylamino]propyl]pyrrolidin-2-one
CID 60930964
1-[2-[(2-methylpyrazolo[1,5-a]pyrimidin-6-yl)methylamino]propyl]pyrrolidin-2-one
CID 62406382
2-(pyrazin-2-ylmethylamino)propan-1-ol
CID 62761626
1-[2-[(1-methylpyrrol-3-yl)methylamino]propyl]pyrrolidin-2-one
CID 66399198
1-[2-(1-pyridin-2-ylethylamino)propyl]pyrrolidin-2-one
CID 54865845
1-[(2S)-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one
CID 94184899
1-[2-[(2,5-dimethylthiophen-3-yl)methylamino]propyl]pyrrolidin-2-one
CID 54977127

Frequently Asked Questions

What is the IUPAC name of 1-[2-(pyrazin-2-ylmethylamino)propyl]pyrrolidin-2-one?
The IUPAC name of 1-[2-(pyrazin-2-ylmethylamino)propyl]pyrrolidin-2-one (CID 55109743) is 1-[2-(pyrazin-2-ylmethylamino)propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(pyrazin-2-ylmethylamino)propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[2-(pyrazin-2-ylmethylamino)propyl]pyrrolidin-2-one is CC(CN1CCCC1=O)NCc1cnccn1.
What is the InChIKey of 1-[2-(pyrazin-2-ylmethylamino)propyl]pyrrolidin-2-one?
The InChIKey is YFZZMLVRRNSMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-10(9-16-6-2-3-12(16)17)15-8-11-7-13-4-5-14-11/h4-5,7,10,15H,2-3,6,8-9H2,1H3.
What are the key properties of 1-[2-(pyrazin-2-ylmethylamino)propyl]pyrrolidin-2-one?
1-[2-(pyrazin-2-ylmethylamino)propyl]pyrrolidin-2-one has a molecular weight of 234.30 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(pyrazin-2-ylmethylamino)propyl]pyrrolidin-2-one is sourced from PubChem (CID 55109743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).