1-(2-methylpropyl)-3-[(5-oxopyrrolidin-3-yl)amino]pyrazin-2-one

C12H18N4O2 — CID 103952535

IUPAC1-(2-methylpropyl)-3-[(5-oxopyrrolidin-3-yl)amino]pyrazin-2-one
SMILESCC(C)Cn1ccnc(NC2CNC(=O)C2)c1=O
InChIInChI=1S/C12H18N4O2/c1-8(2)7-16-4-3-13-11(12(16)18)15-9-5-10(17)14-6-9/h3-4,8-9H,5-7H2,1-2H3,(H,13,15)(H,14,17)
InChIKeyQBXDZBJNVMAIDJ-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.20
Rot. Bonds4

About 1-(2-methylpropyl)-3-[(5-oxopyrrolidin-3-yl)amino]pyrazin-2-one

1-(2-methylpropyl)-3-[(5-oxopyrrolidin-3-yl)amino]pyrazin-2-one (PubChem CID 103952535) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-[(5-oxopyrrolidin-3-yl)amino]pyrazin-2-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-[(5-oxopyrrolidin-3-yl)amino]pyrazin-2-one
PubChem CID103952535
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1-(2-methylpropyl)-3-[(5-oxopyrrolidin-3-yl)amino]pyrazin-2-one
SMILESCC(C)Cn1ccnc(NC2CNC(=O)C2)c1=O
InChIInChI=1S/C12H18N4O2/c1-8(2)7-16-4-3-13-11(12(16)18)15-9-5-10(17)14-6-9/h3-4,8-9H,5-7H2,1-2H3,(H,13,15)(H,14,17)
InChIKeyQBXDZBJNVMAIDJ-UHFFFAOYSA-N
XLogP0.20
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(4-ethyl-3-oxopyrazin-2-yl)-N-methylpyrrolidine-3-carboxamide
CID 177661959
3-(3-aminopyrrolidin-1-yl)pyrazin-2(1H)-one
CID 114570919
1-Methyl-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-2-one
CID 22969726
1-[(3S)-2-oxopentan-3-yl]-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-2-one
CID 59125798
[3-imino-1-[[3-oxo-4-[(2S)-1-oxo-1-[(2-oxo-3-pyrrolidin-1-ylpropyl)amino]butan-2-yl]pyrazin-2-yl]amino]butan-2-ylidene]azanide
CID 142038972
5-Bromo-1-methyl-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-2-one
CID 155662568
5-cyano-1-methyl-N-(2-oxo-1H-pyrazin-3-yl)pyrrolidine-3-carboxamide;ethane
CID 177964555
N-butan-2-yl-3-[(4-methyl-3-oxopyrazin-2-yl)amino]propanamide
CID 55130604
1-Methyl-3-[(1-propan-2-ylpyrrolidin-3-yl)methylamino]pyrazin-2-one
CID 55130790
1-Methyl-3-(1-pyrrolidin-1-ylpropan-2-ylamino)pyrazin-2-one
CID 55130794
3-[(1-Cyclopropylpyrrolidin-3-yl)methylamino]-1-methylpyrazin-2-one
CID 55132924
2-[(4-methyl-3-oxopyrazin-2-yl)amino]-N-propylpropanamide
CID 55133100

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-[(5-oxopyrrolidin-3-yl)amino]pyrazin-2-one?
The IUPAC name of 1-(2-methylpropyl)-3-[(5-oxopyrrolidin-3-yl)amino]pyrazin-2-one (CID 103952535) is 1-(2-methylpropyl)-3-[(5-oxopyrrolidin-3-yl)amino]pyrazin-2-one.
What is the SMILES notation for 1-(2-methylpropyl)-3-[(5-oxopyrrolidin-3-yl)amino]pyrazin-2-one?
The canonical SMILES for 1-(2-methylpropyl)-3-[(5-oxopyrrolidin-3-yl)amino]pyrazin-2-one is CC(C)Cn1ccnc(NC2CNC(=O)C2)c1=O.
What is the InChIKey of 1-(2-methylpropyl)-3-[(5-oxopyrrolidin-3-yl)amino]pyrazin-2-one?
The InChIKey is QBXDZBJNVMAIDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-8(2)7-16-4-3-13-11(12(16)18)15-9-5-10(17)14-6-9/h3-4,8-9H,5-7H2,1-2H3,(H,13,15)(H,14,17).
What are the key properties of 1-(2-methylpropyl)-3-[(5-oxopyrrolidin-3-yl)amino]pyrazin-2-one?
1-(2-methylpropyl)-3-[(5-oxopyrrolidin-3-yl)amino]pyrazin-2-one has a molecular weight of 250.30 g/mol, XLogP of 0.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-[(5-oxopyrrolidin-3-yl)amino]pyrazin-2-one is sourced from PubChem (CID 103952535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).