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

C12H19N3O — CID 115657213

IUPAC3-[(2-methylcyclohexyl)methylamino]-1H-pyrazin-2-one
SMILESCC1CCCCC1CNc1ncc[nH]c1=O
InChIInChI=1S/C12H19N3O/c1-9-4-2-3-5-10(9)8-15-11-12(16)14-7-6-13-11/h6-7,9-10H,2-5,8H2,1H3,(H,13,15)(H,14,16)
InChIKeyAIZFBNCFJAQRKP-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.01
Rot. Bonds3

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

3-[(2-methylcyclohexyl)methylamino]-1H-pyrazin-2-one (PubChem CID 115657213) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-[(2-methylcyclohexyl)methylamino]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[(2-methylcyclohexyl)methylamino]-1H-pyrazin-2-one
PubChem CID115657213
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-[(2-methylcyclohexyl)methylamino]-1H-pyrazin-2-one
SMILESCC1CCCCC1CNc1ncc[nH]c1=O
InChIInChI=1S/C12H19N3O/c1-9-4-2-3-5-10(9)8-15-11-12(16)14-7-6-13-11/h6-7,9-10H,2-5,8H2,1H3,(H,13,15)(H,14,16)
InChIKeyAIZFBNCFJAQRKP-UHFFFAOYSA-N
XLogP2.01
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(1-methylpyrrolidin-2-yl)methylamino]-1H-pyrazin-2-one
CID 106025151
2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxamide
CID 55009920
3-chloro-N-[(2-methylcyclohexyl)methyl]pyridin-2-amine
CID 63541675
3-[(2,3-dimethylcyclohexyl)amino]-1H-pyrazin-2-one
CID 115677773
3-(oxan-3-ylmethylamino)-1H-pyrazin-2-one
CID 115657139
3-[(2-methylcyclohexyl)methylamino]-1-propylpyrazin-2-one
CID 62928622
2-[(2-methylcyclohexyl)methylamino]pyridine-3-carboxylic acid
CID 63511863
3-[(1,1-dioxothiolan-3-yl)methylamino]-1H-pyrazin-2-one
CID 115650209
5-chloro-N-[(2-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 105369322
5-methyl-4-N-[(2-methylcyclohexyl)methyl]pyrimidine-4,6-diamine
CID 80815368
3-(1-cyclopentylethylamino)-1H-pyrazin-2-one
CID 114568815
3-[(1-hydroxycyclopentyl)methylamino]-1H-pyrazin-2-one
CID 115677846

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylcyclohexyl)methylamino]-1H-pyrazin-2-one?
The IUPAC name of 3-[(2-methylcyclohexyl)methylamino]-1H-pyrazin-2-one (CID 115657213) is 3-[(2-methylcyclohexyl)methylamino]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[(2-methylcyclohexyl)methylamino]-1H-pyrazin-2-one?
The canonical SMILES for 3-[(2-methylcyclohexyl)methylamino]-1H-pyrazin-2-one is CC1CCCCC1CNc1ncc[nH]c1=O.
What is the InChIKey of 3-[(2-methylcyclohexyl)methylamino]-1H-pyrazin-2-one?
The InChIKey is AIZFBNCFJAQRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-4-2-3-5-10(9)8-15-11-12(16)14-7-6-13-11/h6-7,9-10H,2-5,8H2,1H3,(H,13,15)(H,14,16).
What are the key properties of 3-[(2-methylcyclohexyl)methylamino]-1H-pyrazin-2-one?
3-[(2-methylcyclohexyl)methylamino]-1H-pyrazin-2-one has a molecular weight of 221.30 g/mol, XLogP of 2.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylcyclohexyl)methylamino]-1H-pyrazin-2-one is sourced from PubChem (CID 115657213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).