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

C16H21N3O — CID 62938964

IUPAC1-(2-methylpropyl)-3-(2-phenylethylamino)pyrazin-2-one
SMILESCC(C)Cn1ccnc(NCCc2ccccc2)c1=O
InChIInChI=1S/C16H21N3O/c1-13(2)12-19-11-10-18-15(16(19)20)17-9-8-14-6-4-3-5-7-14/h3-7,10-11,13H,8-9,12H2,1-2H3,(H,17,18)
InChIKeyLYFXTCMNHVIUIE-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.55
Rot. Bonds6

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

1-(2-methylpropyl)-3-(2-phenylethylamino)pyrazin-2-one (PubChem CID 62938964) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-(2-methylpropyl)-3-(2-phenylethylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-(2-methylpropyl)-3-(2-phenylethylamino)pyrazin-2-one
PubChem CID62938964
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-(2-methylpropyl)-3-(2-phenylethylamino)pyrazin-2-one
SMILESCC(C)Cn1ccnc(NCCc2ccccc2)c1=O
InChIInChI=1S/C16H21N3O/c1-13(2)12-19-11-10-18-15(16(19)20)17-9-8-14-6-4-3-5-7-14/h3-7,10-11,13H,8-9,12H2,1-2H3,(H,17,18)
InChIKeyLYFXTCMNHVIUIE-UHFFFAOYSA-N
XLogP2.55
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2-methylpropyl)-3-(2-phenylethylamino)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

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-3-(2-phenylethylamino)pyrazin-2-one?
The IUPAC name of 1-(2-methylpropyl)-3-(2-phenylethylamino)pyrazin-2-one (CID 62938964) is 1-(2-methylpropyl)-3-(2-phenylethylamino)pyrazin-2-one.
What is the SMILES notation for 1-(2-methylpropyl)-3-(2-phenylethylamino)pyrazin-2-one?
The canonical SMILES for 1-(2-methylpropyl)-3-(2-phenylethylamino)pyrazin-2-one is CC(C)Cn1ccnc(NCCc2ccccc2)c1=O.
What is the InChIKey of 1-(2-methylpropyl)-3-(2-phenylethylamino)pyrazin-2-one?
The InChIKey is LYFXTCMNHVIUIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-13(2)12-19-11-10-18-15(16(19)20)17-9-8-14-6-4-3-5-7-14/h3-7,10-11,13H,8-9,12H2,1-2H3,(H,17,18).
What are the key properties of 1-(2-methylpropyl)-3-(2-phenylethylamino)pyrazin-2-one?
1-(2-methylpropyl)-3-(2-phenylethylamino)pyrazin-2-one has a molecular weight of 271.36 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-3-(2-phenylethylamino)pyrazin-2-one is sourced from PubChem (CID 62938964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).