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

C13H22N4O — CID 55157186

IUPAC1-(2-methylpropyl)-3-[(1-methylpyrrolidin-3-yl)amino]pyrazin-2-one
SMILESCC(C)Cn1ccnc(NC2CCN(C)C2)c1=O
InChIInChI=1S/C13H22N4O/c1-10(2)8-17-7-5-14-12(13(17)18)15-11-4-6-16(3)9-11/h5,7,10-11H,4,6,8-9H2,1-3H3,(H,14,15)
InChIKeyWJRGCVJRGIAYLC-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.02
Rot. Bonds4

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

1-(2-methylpropyl)-3-[(1-methylpyrrolidin-3-yl)amino]pyrazin-2-one (PubChem CID 55157186) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-[(1-methylpyrrolidin-3-yl)amino]pyrazin-2-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-[(1-methylpyrrolidin-3-yl)amino]pyrazin-2-one
PubChem CID55157186
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-(2-methylpropyl)-3-[(1-methylpyrrolidin-3-yl)amino]pyrazin-2-one
SMILESCC(C)Cn1ccnc(NC2CCN(C)C2)c1=O
InChIInChI=1S/C13H22N4O/c1-10(2)8-17-7-5-14-12(13(17)18)15-11-4-6-16(3)9-11/h5,7,10-11H,4,6,8-9H2,1-3H3,(H,14,15)
InChIKeyWJRGCVJRGIAYLC-UHFFFAOYSA-N
XLogP1.02
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-methylpropyl)-3-[(1-methylpyrrolidin-3-yl)amino]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

3-[(1-methylpiperidin-4-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 55156990
3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62938956
3-(2,3-dihydro-1H-inden-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 104695867
3-[(3-ethylsulfanylcyclopentyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 103888844
3-[(4-methylmorpholin-2-yl)methylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 79072318
3-[(2-cyclopropyloxan-4-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 133473466
3-(5-azaspiro[3.5]nonan-8-ylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62927609
3-(2-cyclobutylethylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 115883841
3-[(2-aminocycloheptyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 63258805
3-[3-(cyclopropylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62928309
3-(butan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62939478
N-cyclopropyl-3-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]propanamide
CID 79394717

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-[(1-methylpyrrolidin-3-yl)amino]pyrazin-2-one?
The IUPAC name of 1-(2-methylpropyl)-3-[(1-methylpyrrolidin-3-yl)amino]pyrazin-2-one (CID 55157186) is 1-(2-methylpropyl)-3-[(1-methylpyrrolidin-3-yl)amino]pyrazin-2-one.
What is the SMILES notation for 1-(2-methylpropyl)-3-[(1-methylpyrrolidin-3-yl)amino]pyrazin-2-one?
The canonical SMILES for 1-(2-methylpropyl)-3-[(1-methylpyrrolidin-3-yl)amino]pyrazin-2-one is CC(C)Cn1ccnc(NC2CCN(C)C2)c1=O.
What is the InChIKey of 1-(2-methylpropyl)-3-[(1-methylpyrrolidin-3-yl)amino]pyrazin-2-one?
The InChIKey is WJRGCVJRGIAYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10(2)8-17-7-5-14-12(13(17)18)15-11-4-6-16(3)9-11/h5,7,10-11H,4,6,8-9H2,1-3H3,(H,14,15).
What are the key properties of 1-(2-methylpropyl)-3-[(1-methylpyrrolidin-3-yl)amino]pyrazin-2-one?
1-(2-methylpropyl)-3-[(1-methylpyrrolidin-3-yl)amino]pyrazin-2-one has a molecular weight of 250.35 g/mol, XLogP of 1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-[(1-methylpyrrolidin-3-yl)amino]pyrazin-2-one is sourced from PubChem (CID 55157186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).