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

C9H12N4O2 — CID 105023328

IUPAC1-methyl-3-[(5-oxopyrrolidin-3-yl)amino]pyrazin-2-one
SMILESCn1ccnc(NC2CNC(=O)C2)c1=O
InChIInChI=1S/C9H12N4O2/c1-13-3-2-10-8(9(13)15)12-6-4-7(14)11-5-6/h2-3,6H,4-5H2,1H3,(H,10,12)(H,11,14)
InChIKeyOKJVQNSVZNEIHD-UHFFFAOYSA-N
MW208.22 g/mol
LogP-0.92
Rot. Bonds2

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

1-methyl-3-[(5-oxopyrrolidin-3-yl)amino]pyrazin-2-one (PubChem CID 105023328) has the molecular formula C9H12N4O2 and a molecular weight of 208.22 g/mol. Its IUPAC name is 1-methyl-3-[(5-oxopyrrolidin-3-yl)amino]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[(5-oxopyrrolidin-3-yl)amino]pyrazin-2-one
PubChem CID105023328
Molecular FormulaC9H12N4O2
Molecular Weight208.22 g/mol
Exact Mass208.10
IUPAC Name1-methyl-3-[(5-oxopyrrolidin-3-yl)amino]pyrazin-2-one
SMILESCn1ccnc(NC2CNC(=O)C2)c1=O
InChIInChI=1S/C9H12N4O2/c1-13-3-2-10-8(9(13)15)12-6-4-7(14)11-5-6/h2-3,6H,4-5H2,1H3,(H,10,12)(H,11,14)
InChIKeyOKJVQNSVZNEIHD-UHFFFAOYSA-N
XLogP-0.92
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 5-0.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-Aminopyrrolidin-1-yl)-1,2-dihydropyrazin-2-one dihydrochloride
CID 132343858
(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-Ethylpyrrolidin-2-yl)methylamino]-1-methylpyrazin-2-one
CID 55132923

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(5-oxopyrrolidin-3-yl)amino]pyrazin-2-one?
The IUPAC name of 1-methyl-3-[(5-oxopyrrolidin-3-yl)amino]pyrazin-2-one (CID 105023328) is 1-methyl-3-[(5-oxopyrrolidin-3-yl)amino]pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-[(5-oxopyrrolidin-3-yl)amino]pyrazin-2-one?
The canonical SMILES for 1-methyl-3-[(5-oxopyrrolidin-3-yl)amino]pyrazin-2-one is Cn1ccnc(NC2CNC(=O)C2)c1=O.
What is the InChIKey of 1-methyl-3-[(5-oxopyrrolidin-3-yl)amino]pyrazin-2-one?
The InChIKey is OKJVQNSVZNEIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2/c1-13-3-2-10-8(9(13)15)12-6-4-7(14)11-5-6/h2-3,6H,4-5H2,1H3,(H,10,12)(H,11,14).
What are the key properties of 1-methyl-3-[(5-oxopyrrolidin-3-yl)amino]pyrazin-2-one?
1-methyl-3-[(5-oxopyrrolidin-3-yl)amino]pyrazin-2-one has a molecular weight of 208.22 g/mol, XLogP of -0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(5-oxopyrrolidin-3-yl)amino]pyrazin-2-one is sourced from PubChem (CID 105023328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).