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

C12H18N4O2 — CID 22969726

IUPAC1-methyl-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-2-one
SMILESCn1ccnc(NCCCN2CCCC2=O)c1=O
InChIInChI=1S/C12H18N4O2/c1-15-9-6-14-11(12(15)18)13-5-3-8-16-7-2-4-10(16)17/h6,9H,2-5,7-8H2,1H3,(H,13,14)
InChIKeyNDUNRPWJKPWVTB-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.20
Rot. Bonds5

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

1-methyl-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-2-one (PubChem CID 22969726) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 1-methyl-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-methyl-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-2-one
PubChem CID22969726
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name1-methyl-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-2-one
SMILESCn1ccnc(NCCCN2CCCC2=O)c1=O
InChIInChI=1S/C12H18N4O2/c1-15-9-6-14-11(12(15)18)13-5-3-8-16-7-2-4-10(16)17/h6,9H,2-5,7-8H2,1H3,(H,13,14)
InChIKeyNDUNRPWJKPWVTB-UHFFFAOYSA-N
XLogP0.20
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-methyl-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
3-(3-aminopyrrolidin-1-yl)pyrazin-2(1H)-one
CID 114570919
1-[(3S)-2-oxopentan-3-yl]-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-2-one
CID 59125798
3-ethenyl-2-methyl-4,5-dihydro-1H-imidazol-3-ium;pyrrolidin-2-one;chloride
CID 66748271
azane;4,5-dihydro-1H-imidazole;1-ethenylpyrrolidin-2-one
CID 69256439
3-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-1H-pyrazin-2-one
CID 105554413
[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
1-(1,2-Dihydropyrazin-3-yl)pyrrolidin-2-one
CID 173471230
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

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-2-one?
The IUPAC name of 1-methyl-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-2-one (CID 22969726) is 1-methyl-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-2-one.
What is the SMILES notation for 1-methyl-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-2-one?
The canonical SMILES for 1-methyl-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-2-one is Cn1ccnc(NCCCN2CCCC2=O)c1=O.
What is the InChIKey of 1-methyl-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-2-one?
The InChIKey is NDUNRPWJKPWVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-15-9-6-14-11(12(15)18)13-5-3-8-16-7-2-4-10(16)17/h6,9H,2-5,7-8H2,1H3,(H,13,14).
What are the key properties of 1-methyl-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-2-one?
1-methyl-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-2-one has a molecular weight of 250.30 g/mol, XLogP of 0.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[3-(2-oxopyrrolidin-1-yl)propylamino]pyrazin-2-one is sourced from PubChem (CID 22969726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).