3-(1-cyclohexylethylamino)-1H-pyrazin-2-one

C12H19N3O — CID 115657798

IUPAC3-(1-cyclohexylethylamino)-1H-pyrazin-2-one
SMILESCC(Nc1ncc[nH]c1=O)C1CCCCC1
InChIInChI=1S/C12H19N3O/c1-9(10-5-3-2-4-6-10)15-11-12(16)14-8-7-13-11/h7-10H,2-6H2,1H3,(H,13,15)(H,14,16)
InChIKeyHTMBWUJXPQWSDZ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.15
Rot. Bonds3

About 3-(1-cyclohexylethylamino)-1H-pyrazin-2-one

3-(1-cyclohexylethylamino)-1H-pyrazin-2-one (PubChem CID 115657798) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(1-cyclohexylethylamino)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(1-cyclohexylethylamino)-1H-pyrazin-2-one
PubChem CID115657798
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-(1-cyclohexylethylamino)-1H-pyrazin-2-one
SMILESCC(Nc1ncc[nH]c1=O)C1CCCCC1
InChIInChI=1S/C12H19N3O/c1-9(10-5-3-2-4-6-10)15-11-12(16)14-8-7-13-11/h7-10H,2-6H2,1H3,(H,13,15)(H,14,16)
InChIKeyHTMBWUJXPQWSDZ-UHFFFAOYSA-N
XLogP2.15
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 ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-cyclopentylethylamino)-1H-pyrazin-2-one
CID 114568815
3-(1-cyclohexylpropylamino)-1H-pyrazin-2-one
CID 113243776
4-(1-cyclohexylethylamino)-5-iodo-1H-pyrimidin-6-one
CID 137015485
5-amino-4-(1-cyclopentylethylamino)-1H-pyrimidin-6-one
CID 136975856
5-chloro-4-(1-cyclobutylethylamino)-1H-pyrimidin-6-one
CID 136977342
3-(1-pyrrolidin-1-ylpropan-2-ylamino)-1H-pyrazin-2-one
CID 115657160
3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrazin-2-one
CID 114986519
3-[(4-methylcyclohexyl)amino]-1H-pyrazin-2-one
CID 103703038
3-(azepan-3-ylamino)-1H-pyrazin-2-one
CID 114570966
4-(1-cyclohexylethylamino)-1H-pyrimidin-6-one
CID 136956585
3-(4-aminopentan-2-ylamino)-1H-pyrazin-2-one
CID 114571495
N-(1-cyclohexylethyl)-3-nitropyridin-2-amine
CID 62406132

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohexylethylamino)-1H-pyrazin-2-one?
The IUPAC name of 3-(1-cyclohexylethylamino)-1H-pyrazin-2-one (CID 115657798) is 3-(1-cyclohexylethylamino)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(1-cyclohexylethylamino)-1H-pyrazin-2-one?
The canonical SMILES for 3-(1-cyclohexylethylamino)-1H-pyrazin-2-one is CC(Nc1ncc[nH]c1=O)C1CCCCC1.
What is the InChIKey of 3-(1-cyclohexylethylamino)-1H-pyrazin-2-one?
The InChIKey is HTMBWUJXPQWSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9(10-5-3-2-4-6-10)15-11-12(16)14-8-7-13-11/h7-10H,2-6H2,1H3,(H,13,15)(H,14,16).
What are the key properties of 3-(1-cyclohexylethylamino)-1H-pyrazin-2-one?
3-(1-cyclohexylethylamino)-1H-pyrazin-2-one has a molecular weight of 221.30 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohexylethylamino)-1H-pyrazin-2-one is sourced from PubChem (CID 115657798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).