1-tert-butyl-3-(3-phenylpropylamino)pyrazin-2-one

C17H23N3O — CID 62938464

IUPAC1-tert-butyl-3-(3-phenylpropylamino)pyrazin-2-one
SMILESCC(C)(C)n1ccnc(NCCCc2ccccc2)c1=O
InChIInChI=1S/C17H23N3O/c1-17(2,3)20-13-12-19-15(16(20)21)18-11-7-10-14-8-5-4-6-9-14/h4-6,8-9,12-13H,7,10-11H2,1-3H3,(H,18,19)
InChIKeyUPMSAARVUHRBKD-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.04
Rot. Bonds5

About 1-tert-butyl-3-(3-phenylpropylamino)pyrazin-2-one

1-tert-butyl-3-(3-phenylpropylamino)pyrazin-2-one (PubChem CID 62938464) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-tert-butyl-3-(3-phenylpropylamino)pyrazin-2-one.

Molecular Properties

Compound Name1-tert-butyl-3-(3-phenylpropylamino)pyrazin-2-one
PubChem CID62938464
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-tert-butyl-3-(3-phenylpropylamino)pyrazin-2-one
SMILESCC(C)(C)n1ccnc(NCCCc2ccccc2)c1=O
InChIInChI=1S/C17H23N3O/c1-17(2,3)20-13-12-19-15(16(20)21)18-11-7-10-14-8-5-4-6-9-14/h4-6,8-9,12-13H,7,10-11H2,1-3H3,(H,18,19)
InChIKeyUPMSAARVUHRBKD-UHFFFAOYSA-N
XLogP3.04
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-2-methylpentanoic acid
CID 104683131
3-(3-phenylpropylamino)-1-(4-propan-2-ylphenyl)pyrazin-2-one
CID 20941702
1-tert-butyl-3-(3-imidazol-1-ylpropylamino)pyrazin-2-one
CID 62938441
1-tert-butyl-3-[[3-(chloromethyl)phenyl]methylamino]pyrazin-2-one
CID 65028436
N-[2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]ethyl]methanesulfonamide
CID 62939850
3-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]propanamide
CID 62940899
1-(2-methylpropyl)-3-(2-phenylethylamino)pyrazin-2-one
CID 62938964
3-[(4-aminophenyl)methylamino]-1-tert-butylpyrazin-2-one
CID 62929541
3-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N,N-diethylpropanamide
CID 62939165
1-tert-butyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one
CID 62938433
methyl 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]acetate
CID 62938610
N-cyclopropyl-4-methyl-3-[2-oxo-3-(3-phenylpropylamino)pyrazin-1-yl]benzamide
CID 66689834

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-(3-phenylpropylamino)pyrazin-2-one?
The IUPAC name of 1-tert-butyl-3-(3-phenylpropylamino)pyrazin-2-one (CID 62938464) is 1-tert-butyl-3-(3-phenylpropylamino)pyrazin-2-one.
What is the SMILES notation for 1-tert-butyl-3-(3-phenylpropylamino)pyrazin-2-one?
The canonical SMILES for 1-tert-butyl-3-(3-phenylpropylamino)pyrazin-2-one is CC(C)(C)n1ccnc(NCCCc2ccccc2)c1=O.
What is the InChIKey of 1-tert-butyl-3-(3-phenylpropylamino)pyrazin-2-one?
The InChIKey is UPMSAARVUHRBKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-17(2,3)20-13-12-19-15(16(20)21)18-11-7-10-14-8-5-4-6-9-14/h4-6,8-9,12-13H,7,10-11H2,1-3H3,(H,18,19).
What are the key properties of 1-tert-butyl-3-(3-phenylpropylamino)pyrazin-2-one?
1-tert-butyl-3-(3-phenylpropylamino)pyrazin-2-one has a molecular weight of 285.39 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-(3-phenylpropylamino)pyrazin-2-one is sourced from PubChem (CID 62938464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).