3-(7-methyloctylamino)-1-(2-methylpropyl)pyrazin-2-one

C17H31N3O — CID 107816214

IUPAC3-(7-methyloctylamino)-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)CCCCCCNc1nccn(CC(C)C)c1=O
InChIInChI=1S/C17H31N3O/c1-14(2)9-7-5-6-8-10-18-16-17(21)20(12-11-19-16)13-15(3)4/h11-12,14-15H,5-10,13H2,1-4H3,(H,18,19)
InChIKeyUXSHFPFITLIFAB-UHFFFAOYSA-N
MW293.45 g/mol
LogP3.92
Rot. Bonds10

About 3-(7-methyloctylamino)-1-(2-methylpropyl)pyrazin-2-one

3-(7-methyloctylamino)-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 107816214) has the molecular formula C17H31N3O and a molecular weight of 293.45 g/mol. Its IUPAC name is 3-(7-methyloctylamino)-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-(7-methyloctylamino)-1-(2-methylpropyl)pyrazin-2-one
PubChem CID107816214
Molecular FormulaC17H31N3O
Molecular Weight293.45 g/mol
Exact Mass293.25
IUPAC Name3-(7-methyloctylamino)-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)CCCCCCNc1nccn(CC(C)C)c1=O
InChIInChI=1S/C17H31N3O/c1-14(2)9-7-5-6-8-10-18-16-17(21)20(12-11-19-16)13-15(3)4/h11-12,14-15H,5-10,13H2,1-4H3,(H,18,19)
InChIKeyUXSHFPFITLIFAB-UHFFFAOYSA-N
XLogP3.92
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.45
LogP ≤ 53.92
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

1-(2-methylpropyl)-3-(pentylamino)pyrazin-2-one
CID 62940519
3-[2-(methylamino)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62927277
1-(2-methylpropyl)-3-(3-methylsulfonylpropylamino)pyrazin-2-one
CID 55157563
3-[3-(cyclopropylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62928309
1-cyclopropyl-3-(5-methylhexylamino)pyrazin-2-one
CID 115326088
N-[2-[[4-(2-methylpropyl)-3-oxopyrazin-2-yl]amino]ethyl]acetamide
CID 55155069
1-(2-methylpropyl)-3-[3-(1H-1,2,4-triazol-5-yl)propylamino]pyrazin-2-one
CID 64530049
3-[[2-(dimethylamino)-2-methylpropyl]amino]-1-(2-methylpropyl)pyrazin-2-one
CID 55156417
3-[[2-methyl-3-(methylamino)propyl]amino]-1-(2-methylpropyl)pyrazin-2-one
CID 113282618
1-(2-methylpropyl)-3-(2-phenylethylamino)pyrazin-2-one
CID 62938964
3-(2-cyclobutylethylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 115883841
3-[2-(dimethylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62938830

Frequently Asked Questions

What is the IUPAC name of 3-(7-methyloctylamino)-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-(7-methyloctylamino)-1-(2-methylpropyl)pyrazin-2-one (CID 107816214) is 3-(7-methyloctylamino)-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-(7-methyloctylamino)-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-(7-methyloctylamino)-1-(2-methylpropyl)pyrazin-2-one is CC(C)CCCCCCNc1nccn(CC(C)C)c1=O.
What is the InChIKey of 3-(7-methyloctylamino)-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is UXSHFPFITLIFAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-14(2)9-7-5-6-8-10-18-16-17(21)20(12-11-19-16)13-15(3)4/h11-12,14-15H,5-10,13H2,1-4H3,(H,18,19).
What are the key properties of 3-(7-methyloctylamino)-1-(2-methylpropyl)pyrazin-2-one?
3-(7-methyloctylamino)-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 293.45 g/mol, XLogP of 3.92, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methyloctylamino)-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 107816214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).