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

C16H27N3O2 — CID 65118811

IUPAC3-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(NCC2(O)CCCC(C)C2)c1=O
InChIInChI=1S/C16H27N3O2/c1-12(2)10-19-8-7-17-14(15(19)20)18-11-16(21)6-4-5-13(3)9-16/h7-8,12-13,21H,4-6,9-11H2,1-3H3,(H,17,18)
InChIKeyQIJNRBCWAVFWPV-UHFFFAOYSA-N
MW293.41 g/mol
LogP2.25
Rot. Bonds5

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

3-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 65118811) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 3-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one
PubChem CID65118811
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name3-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one
SMILESCC(C)Cn1ccnc(NCC2(O)CCCC(C)C2)c1=O
InChIInChI=1S/C16H27N3O2/c1-12(2)10-19-8-7-17-14(15(19)20)18-11-16(21)6-4-5-13(3)9-16/h7-8,12-13,21H,4-6,9-11H2,1-3H3,(H,17,18)
InChIKeyQIJNRBCWAVFWPV-UHFFFAOYSA-N
XLogP2.25
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[1-(hydroxymethyl)-4-methylcyclohexyl]amino]-1-(2-methylpropyl)pyrazin-2-one
CID 62928468
3-[[1-(aminomethyl)cyclopropyl]methylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 113313728
3-methyl-1-[[(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]methyl]cyclohexan-1-ol
CID 104731712
4-chloro-5-[(1-hydroxy-3-methylcyclohexyl)methylamino]-2-propan-2-ylpyridazin-3-one
CID 114439346
3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62938956
3-[(3-hydroxy-2,3-dimethylbutan-2-yl)amino]-1-(2-methylpropyl)pyrazin-2-one
CID 106185827
1-[[(6-chloro-5-propan-2-ylpyrimidin-4-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 65121518
3-(2-cyclobutylethylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 115883841
1-cyclopropyl-3-[(1-hydroxycyclopentyl)methylamino]pyrazin-2-one
CID 65110313
1-cyclopropyl-3-[(1-hydroxy-4-methylcyclohexyl)methylamino]pyrazin-2-one
CID 65118452
3-[(2-aminocyclohexyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 64927091
2-[(1-hydroxy-3-methylcyclohexyl)methylamino]pyridine-3-carbonitrile
CID 62301831

Frequently Asked Questions

What is the IUPAC name of 3-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one (CID 65118811) is 3-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one is CC(C)Cn1ccnc(NCC2(O)CCCC(C)C2)c1=O.
What is the InChIKey of 3-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is QIJNRBCWAVFWPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-12(2)10-19-8-7-17-14(15(19)20)18-11-16(21)6-4-5-13(3)9-16/h7-8,12-13,21H,4-6,9-11H2,1-3H3,(H,17,18).
What are the key properties of 3-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one?
3-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 293.41 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-hydroxy-3-methylcyclohexyl)methylamino]-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 65118811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).