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

C13H20N4O2 — CID 106258094

IUPAC3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(NC2CCN(C)C2=O)c1=O
InChIInChI=1S/C13H20N4O2/c1-9(2)8-17-7-5-14-11(13(17)19)15-10-4-6-16(3)12(10)18/h5,7,9-10H,4,6,8H2,1-3H3,(H,14,15)
InChIKeyKZGGBZSVWHVIKP-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.54
Rot. Bonds4

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

3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 106258094) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
PubChem CID106258094
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(NC2CCN(C)C2=O)c1=O
InChIInChI=1S/C13H20N4O2/c1-9(2)8-17-7-5-14-11(13(17)19)15-10-4-6-16(3)12(10)18/h5,7,9-10H,4,6,8H2,1-3H3,(H,14,15)
InChIKeyKZGGBZSVWHVIKP-UHFFFAOYSA-N
XLogP0.54
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-(4-ethyl-3-oxopyrazin-2-yl)-N-methylpyrrolidine-3-carboxamide
CID 177661959
2-[(3S)-1-(4-ethyl-3-oxopyrazin-2-yl)pyrrolidin-3-yl]acetamide
CID 177661990
1-Ethyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methylamino]pyrazin-2-one
CID 62938986
3-(3-aminopyrrolidin-1-yl)pyrazin-2(1H)-one
CID 114570919
1-(2-Oxopentan-3-yl)-3-(4-oxopentylamino)pyrazin-2-one
CID 22969712
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
(2S)-2-[2-oxo-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-1-yl]butanoic acid
CID 59909437
[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

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1-(2-methylpropyl)pyrazin-2-one (CID 106258094) is 3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1-(2-methylpropyl)pyrazin-2-one is CC(C)Cn1ccnc(NC2CCN(C)C2=O)c1=O.
What is the InChIKey of 3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is KZGGBZSVWHVIKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-9(2)8-17-7-5-14-11(13(17)19)15-10-4-6-16(3)12(10)18/h5,7,9-10H,4,6,8H2,1-3H3,(H,14,15).
What are the key properties of 3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1-(2-methylpropyl)pyrazin-2-one?
3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 264.33 g/mol, XLogP of 0.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 106258094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).