3-[(2-methylphenyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one

C16H21N3O — CID 62938286

IUPAC3-[(2-methylphenyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCc1ccccc1CNc1nccn(CC(C)C)c1=O
InChIInChI=1S/C16H21N3O/c1-12(2)11-19-9-8-17-15(16(19)20)18-10-14-7-5-4-6-13(14)3/h4-9,12H,10-11H2,1-3H3,(H,17,18)
InChIKeyTXIXAALTVFVDIW-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.82
Rot. Bonds5

About 3-[(2-methylphenyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one

3-[(2-methylphenyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 62938286) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 3-[(2-methylphenyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[(2-methylphenyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one
PubChem CID62938286
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name3-[(2-methylphenyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCc1ccccc1CNc1nccn(CC(C)C)c1=O
InChIInChI=1S/C16H21N3O/c1-12(2)11-19-9-8-17-15(16(19)20)18-10-14-7-5-4-6-13(14)3/h4-9,12H,10-11H2,1-3H3,(H,17,18)
InChIKeyTXIXAALTVFVDIW-UHFFFAOYSA-N
XLogP2.82
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one
CID 62938284
1-methyl-3-[(2-methylphenyl)methylamino]pyrazin-2-one
CID 62938866
3-[2-(2-fluorophenyl)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62939485
1-(2-methylpropyl)-3-(2-phenylethylamino)pyrazin-2-one
CID 62938964
3-[(2-aminophenyl)methylamino]-1-ethylpyrazin-2-one
CID 55157194
3-[2-(methylamino)ethylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62927277
3-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 103888457
3-[2-(dimethylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62938830
3-(2,3-dihydro-1H-inden-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 104695867
3-[(3-methyl-4-pyridinyl)methylamino]-1-propylpyrazin-2-one
CID 114701033
3-[[2-(dimethylamino)-2-methylpropyl]amino]-1-(2-methylpropyl)pyrazin-2-one
CID 55156417
3-[(3-chloro-2-methylpropyl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 65037499

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylphenyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-[(2-methylphenyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one (CID 62938286) is 3-[(2-methylphenyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-[(2-methylphenyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-[(2-methylphenyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one is Cc1ccccc1CNc1nccn(CC(C)C)c1=O.
What is the InChIKey of 3-[(2-methylphenyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is TXIXAALTVFVDIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-12(2)11-19-9-8-17-15(16(19)20)18-10-14-7-5-4-6-13(14)3/h4-9,12H,10-11H2,1-3H3,(H,17,18).
What are the key properties of 3-[(2-methylphenyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one?
3-[(2-methylphenyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 271.36 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylphenyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 62938286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).