3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one

C12H19N3O — CID 62938956

IUPAC3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(NCC2CC2)c1=O
InChIInChI=1S/C12H19N3O/c1-9(2)8-15-6-5-13-11(12(15)16)14-7-10-3-4-10/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,13,14)
InChIKeyBALSPPASFZCXDS-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.72
Rot. Bonds5

About 3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one

3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 62938956) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one
PubChem CID62938956
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(NCC2CC2)c1=O
InChIInChI=1S/C12H19N3O/c1-9(2)8-15-6-5-13-11(12(15)16)14-7-10-3-4-10/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,13,14)
InChIKeyBALSPPASFZCXDS-UHFFFAOYSA-N
XLogP1.72
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(cyclopropylmethylamino)-1-(2-methylpropyl)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-[(2-aminocyclohexyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 64927091
3-(2-cyclobutylethylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 115883841
3-[(4-methylmorpholin-2-yl)methylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 79072318
3-[3-(cyclopropylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62928309
3-[2-(methylamino)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62927277
1-(2-methylpropyl)-3-[(1-methylpyrrolidin-3-yl)amino]pyrazin-2-one
CID 55157186
3-[(1-methylpiperidin-4-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 55156990
N-cyclopropyl-3-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]propanamide
CID 79394717
1-(2-methylpropyl)-3-(morpholin-2-ylmethylamino)pyrazin-2-one
CID 115324123
3-[2-(dimethylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62938830
3-[(3-methoxy-2-methylpropyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 62929149
3-[(3-chloro-2-methylpropyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 65037499

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one (CID 62938956) is 3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one is CC(C)Cn1ccnc(NCC2CC2)c1=O.
What is the InChIKey of 3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is BALSPPASFZCXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9(2)8-15-6-5-13-11(12(15)16)14-7-10-3-4-10/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,13,14).
What are the key properties of 3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one?
3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 221.30 g/mol, XLogP of 1.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 62938956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).