3-[(4-methylcyclohexyl)amino]-1H-pyrazin-2-one

C11H17N3O — CID 103703038

IUPAC3-[(4-methylcyclohexyl)amino]-1H-pyrazin-2-one
SMILESCC1CCC(Nc2ncc[nH]c2=O)CC1
InChIInChI=1S/C11H17N3O/c1-8-2-4-9(5-3-8)14-10-11(15)13-7-6-12-10/h6-9H,2-5H2,1H3,(H,12,14)(H,13,15)
InChIKeyRCSZNAISWQLZTC-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.76
Rot. Bonds2

About 3-[(4-methylcyclohexyl)amino]-1H-pyrazin-2-one

3-[(4-methylcyclohexyl)amino]-1H-pyrazin-2-one (PubChem CID 103703038) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-[(4-methylcyclohexyl)amino]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[(4-methylcyclohexyl)amino]-1H-pyrazin-2-one
PubChem CID103703038
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-[(4-methylcyclohexyl)amino]-1H-pyrazin-2-one
SMILESCC1CCC(Nc2ncc[nH]c2=O)CC1
InChIInChI=1S/C11H17N3O/c1-8-2-4-9(5-3-8)14-10-11(15)13-7-6-12-10/h6-9H,2-5H2,1H3,(H,12,14)(H,13,15)
InChIKeyRCSZNAISWQLZTC-UHFFFAOYSA-N
XLogP1.76
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3,3-dimethylcyclopentyl)amino]-1H-pyrazin-2-one
CID 115880977
3-[(3,3-dimethylcyclohexyl)amino]-1H-pyrazin-2-one
CID 114569134
3-[(2-methyloxolan-3-yl)amino]-1H-pyrazin-2-one
CID 115868834
3-(azepan-3-ylamino)-1H-pyrazin-2-one
CID 114570966
3-[(2,3-dimethylcyclohexyl)amino]-1H-pyrazin-2-one
CID 115677773
3-[(2,2-diethyloxan-4-yl)amino]-1H-pyrazin-2-one
CID 115865725
3-[(2-aminocyclopentyl)amino]-1H-pyrazin-2-one
CID 114570941
3-(1-cyclopentylethylamino)-1H-pyrazin-2-one
CID 114568815
2-[4-[(2-oxo-1H-pyrazin-3-yl)amino]cyclohexyl]-6-pyridin-4-ylpyridazin-3-one
CID 126936768
3-(1-cyclohexylethylamino)-1H-pyrazin-2-one
CID 115657798
3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1H-pyrazin-2-one
CID 115694801
3-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrazin-2-one
CID 103703713

Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylcyclohexyl)amino]-1H-pyrazin-2-one?
The IUPAC name of 3-[(4-methylcyclohexyl)amino]-1H-pyrazin-2-one (CID 103703038) is 3-[(4-methylcyclohexyl)amino]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[(4-methylcyclohexyl)amino]-1H-pyrazin-2-one?
The canonical SMILES for 3-[(4-methylcyclohexyl)amino]-1H-pyrazin-2-one is CC1CCC(Nc2ncc[nH]c2=O)CC1.
What is the InChIKey of 3-[(4-methylcyclohexyl)amino]-1H-pyrazin-2-one?
The InChIKey is RCSZNAISWQLZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8-2-4-9(5-3-8)14-10-11(15)13-7-6-12-10/h6-9H,2-5H2,1H3,(H,12,14)(H,13,15).
What are the key properties of 3-[(4-methylcyclohexyl)amino]-1H-pyrazin-2-one?
3-[(4-methylcyclohexyl)amino]-1H-pyrazin-2-one has a molecular weight of 207.28 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylcyclohexyl)amino]-1H-pyrazin-2-one is sourced from PubChem (CID 103703038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).