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

C12H18N4O2 — CID 106258040

IUPAC3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NC2CCN(C)C2=O)c1=O
InChIInChI=1S/C12H18N4O2/c1-3-6-16-8-5-13-10(12(16)18)14-9-4-7-15(2)11(9)17/h5,8-9H,3-4,6-7H2,1-2H3,(H,13,14)
InChIKeyMAQLIYKZNFIRLC-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.30
Rot. Bonds4

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

3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1-propylpyrazin-2-one (PubChem CID 106258040) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1-propylpyrazin-2-one.

Molecular Properties

Compound Name3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1-propylpyrazin-2-one
PubChem CID106258040
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1-propylpyrazin-2-one
SMILESCCCn1ccnc(NC2CCN(C)C2=O)c1=O
InChIInChI=1S/C12H18N4O2/c1-3-6-16-8-5-13-10(12(16)18)14-9-4-7-15(2)11(9)17/h5,8-9H,3-4,6-7H2,1-2H3,(H,13,14)
InChIKeyMAQLIYKZNFIRLC-UHFFFAOYSA-N
XLogP0.30
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-Aminopyrrolidin-1-yl)-1,2-dihydropyrazin-2-one dihydrochloride
CID 132343858
3-[(Propan-2-yl)amino]-1-propyl-1,2-dihydropyrazin-2-one
CID 53015090
1-(Propan-2-yl)-3-(propylamino)-1,2-dihydropyrazin-2-one
CID 53015093
(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-(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
2-[3-(2,3-diiminobutylamino)-2-oxopyrazin-1-yl]-N-(2-oxopropyl)butanamide
CID 142039095
[4-imino-6-[[3-oxo-4-[(2S)-1-oxo-1-[(2-oxo-3-pyrrolidin-1-ylpropyl)amino]butan-2-yl]pyrazin-2-yl]amino]hexan-3-ylidene]azanide
CID 142039138

Frequently Asked Questions

What is the IUPAC name of 3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1-propylpyrazin-2-one?
The IUPAC name of 3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1-propylpyrazin-2-one (CID 106258040) is 3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1-propylpyrazin-2-one.
What is the SMILES notation for 3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1-propylpyrazin-2-one?
The canonical SMILES for 3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1-propylpyrazin-2-one is CCCn1ccnc(NC2CCN(C)C2=O)c1=O.
What is the InChIKey of 3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1-propylpyrazin-2-one?
The InChIKey is MAQLIYKZNFIRLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-3-6-16-8-5-13-10(12(16)18)14-9-4-7-15(2)11(9)17/h5,8-9H,3-4,6-7H2,1-2H3,(H,13,14).
What are the key properties of 3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1-propylpyrazin-2-one?
3-[(1-methyl-2-oxopyrrolidin-3-yl)amino]-1-propylpyrazin-2-one has a molecular weight of 250.30 g/mol, XLogP of 0.30, 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-propylpyrazin-2-one is sourced from PubChem (CID 106258040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).