3-(1-pyrrolidin-1-ylpropan-2-ylamino)-1H-pyrazin-2-one

C11H18N4O — CID 115657160

IUPAC3-(1-pyrrolidin-1-ylpropan-2-ylamino)-1H-pyrazin-2-one
SMILESCC(CN1CCCC1)Nc1ncc[nH]c1=O
InChIInChI=1S/C11H18N4O/c1-9(8-15-6-2-3-7-15)14-10-11(16)13-5-4-12-10/h4-5,9H,2-3,6-8H2,1H3,(H,12,14)(H,13,16)
InChIKeySKXPXLSBXXBGFL-UHFFFAOYSA-N
MW222.29 g/mol
LogP0.67
Rot. Bonds4

About 3-(1-pyrrolidin-1-ylpropan-2-ylamino)-1H-pyrazin-2-one

3-(1-pyrrolidin-1-ylpropan-2-ylamino)-1H-pyrazin-2-one (PubChem CID 115657160) has the molecular formula C11H18N4O and a molecular weight of 222.29 g/mol. Its IUPAC name is 3-(1-pyrrolidin-1-ylpropan-2-ylamino)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(1-pyrrolidin-1-ylpropan-2-ylamino)-1H-pyrazin-2-one
PubChem CID115657160
Molecular FormulaC11H18N4O
Molecular Weight222.29 g/mol
Exact Mass222.15
IUPAC Name3-(1-pyrrolidin-1-ylpropan-2-ylamino)-1H-pyrazin-2-one
SMILESCC(CN1CCCC1)Nc1ncc[nH]c1=O
InChIInChI=1S/C11H18N4O/c1-9(8-15-6-2-3-7-15)14-10-11(16)13-5-4-12-10/h4-5,9H,2-3,6-8H2,1H3,(H,12,14)(H,13,16)
InChIKeySKXPXLSBXXBGFL-UHFFFAOYSA-N
XLogP0.67
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-aminopentan-2-ylamino)-1H-pyrazin-2-one
CID 114571495
3-(1-methylsulfonylpropan-2-ylamino)-1H-pyrazin-2-one
CID 115657583
3-[(2-oxo-1H-pyrazin-3-yl)amino]butanamide
CID 115685000
3-(4-methylsulfinylbutan-2-ylamino)-1H-pyrazin-2-one
CID 115715184
3-(1-cyclopentylethylamino)-1H-pyrazin-2-one
CID 114568815
3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrazin-2-one
CID 114986519
3-(1-cyclohexylethylamino)-1H-pyrazin-2-one
CID 115657798
(2S)-1-(azepan-1-yl)-N-[2-(1H-imidazol-2-yl)ethyl]propan-2-amine
CID 125437759
3-bromo-4-methyl-N-(1-piperidin-1-ylpropan-2-yl)pyridin-2-amine
CID 106875617
N-(1-pyrrolidin-1-ylpropan-2-yl)furo[3,2-c]pyridin-4-amine
CID 103702723
N,N-dimethyl-2-[(2-oxo-1H-pyrazin-3-yl)amino]propanamide
CID 115898862
1-methyl-N-(1-piperidin-1-ylpropan-2-yl)imidazol-2-amine
CID 62133475

Frequently Asked Questions

What is the IUPAC name of 3-(1-pyrrolidin-1-ylpropan-2-ylamino)-1H-pyrazin-2-one?
The IUPAC name of 3-(1-pyrrolidin-1-ylpropan-2-ylamino)-1H-pyrazin-2-one (CID 115657160) is 3-(1-pyrrolidin-1-ylpropan-2-ylamino)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(1-pyrrolidin-1-ylpropan-2-ylamino)-1H-pyrazin-2-one?
The canonical SMILES for 3-(1-pyrrolidin-1-ylpropan-2-ylamino)-1H-pyrazin-2-one is CC(CN1CCCC1)Nc1ncc[nH]c1=O.
What is the InChIKey of 3-(1-pyrrolidin-1-ylpropan-2-ylamino)-1H-pyrazin-2-one?
The InChIKey is SKXPXLSBXXBGFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O/c1-9(8-15-6-2-3-7-15)14-10-11(16)13-5-4-12-10/h4-5,9H,2-3,6-8H2,1H3,(H,12,14)(H,13,16).
What are the key properties of 3-(1-pyrrolidin-1-ylpropan-2-ylamino)-1H-pyrazin-2-one?
3-(1-pyrrolidin-1-ylpropan-2-ylamino)-1H-pyrazin-2-one has a molecular weight of 222.29 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-pyrrolidin-1-ylpropan-2-ylamino)-1H-pyrazin-2-one is sourced from PubChem (CID 115657160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).