3-(cyclohexylmethylamino)-1-methylpyrazin-2-one

C12H19N3O — CID 62939564

IUPAC3-(cyclohexylmethylamino)-1-methylpyrazin-2-one
SMILESCn1ccnc(NCC2CCCCC2)c1=O
InChIInChI=1S/C12H19N3O/c1-15-8-7-13-11(12(15)16)14-9-10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3,(H,13,14)
InChIKeyPLFIHZJLSOTLHA-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.77
Rot. Bonds3

About 3-(cyclohexylmethylamino)-1-methylpyrazin-2-one

3-(cyclohexylmethylamino)-1-methylpyrazin-2-one (PubChem CID 62939564) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(cyclohexylmethylamino)-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-(cyclohexylmethylamino)-1-methylpyrazin-2-one
PubChem CID62939564
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-(cyclohexylmethylamino)-1-methylpyrazin-2-one
SMILESCn1ccnc(NCC2CCCCC2)c1=O
InChIInChI=1S/C12H19N3O/c1-15-8-7-13-11(12(15)16)14-9-10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3,(H,13,14)
InChIKeyPLFIHZJLSOTLHA-UHFFFAOYSA-N
XLogP1.77
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-[(1-methylpiperidin-3-yl)methylamino]pyrazin-2-one
CID 55133105
1-methyl-3-(piperidin-2-ylmethylamino)pyrazin-2-one
CID 62939407
1-methyl-3-[(1-methylpyrrolidin-2-yl)methylamino]pyrazin-2-one
CID 103702752
1-methyl-3-[(2-methylcyclopropyl)methylamino]pyrazin-2-one
CID 115657073
3-[(2-methoxy-2-methylpropyl)amino]-1-methylpyrazin-2-one
CID 115658440
3-(cyclopropylmethylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62938956
3-[(2-amino-2-cyclopropylethyl)amino]-1-methylpyrazin-2-one
CID 63760635
3-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)methylamino]-1-propan-2-ylpyrazin-2-one
CID 62938656
1-methyl-3-[2-(oxolan-2-yl)ethylamino]pyrazin-2-one
CID 62938870
3-[(3-hydroxycyclohexyl)methylamino]-1-propylpyrazin-2-one
CID 106129389
N-(cyclopentylmethyl)-1-methylimidazo[4,5-c]pyridin-4-amine
CID 103385392
3-[[(1R,2R)-2-aminocyclohexyl]amino]-1-methylpyrazin-2-one
CID 94896988

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohexylmethylamino)-1-methylpyrazin-2-one?
The IUPAC name of 3-(cyclohexylmethylamino)-1-methylpyrazin-2-one (CID 62939564) is 3-(cyclohexylmethylamino)-1-methylpyrazin-2-one.
What is the SMILES notation for 3-(cyclohexylmethylamino)-1-methylpyrazin-2-one?
The canonical SMILES for 3-(cyclohexylmethylamino)-1-methylpyrazin-2-one is Cn1ccnc(NCC2CCCCC2)c1=O.
What is the InChIKey of 3-(cyclohexylmethylamino)-1-methylpyrazin-2-one?
The InChIKey is PLFIHZJLSOTLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-15-8-7-13-11(12(15)16)14-9-10-5-3-2-4-6-10/h7-8,10H,2-6,9H2,1H3,(H,13,14).
What are the key properties of 3-(cyclohexylmethylamino)-1-methylpyrazin-2-one?
3-(cyclohexylmethylamino)-1-methylpyrazin-2-one has a molecular weight of 221.30 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohexylmethylamino)-1-methylpyrazin-2-one is sourced from PubChem (CID 62939564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).