3-[(3,3-dimethylcyclohexyl)amino]-1H-pyrazin-2-one

C12H19N3O — CID 114569134

IUPAC3-[(3,3-dimethylcyclohexyl)amino]-1H-pyrazin-2-one
SMILESCC1(C)CCCC(Nc2ncc[nH]c2=O)C1
InChIInChI=1S/C12H19N3O/c1-12(2)5-3-4-9(8-12)15-10-11(16)14-7-6-13-10/h6-7,9H,3-5,8H2,1-2H3,(H,13,15)(H,14,16)
InChIKeySFXZZQOOORLKAY-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.15
Rot. Bonds2

About 3-[(3,3-dimethylcyclohexyl)amino]-1H-pyrazin-2-one

3-[(3,3-dimethylcyclohexyl)amino]-1H-pyrazin-2-one (PubChem CID 114569134) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-[(3,3-dimethylcyclohexyl)amino]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[(3,3-dimethylcyclohexyl)amino]-1H-pyrazin-2-one
PubChem CID114569134
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-[(3,3-dimethylcyclohexyl)amino]-1H-pyrazin-2-one
SMILESCC1(C)CCCC(Nc2ncc[nH]c2=O)C1
InChIInChI=1S/C12H19N3O/c1-12(2)5-3-4-9(8-12)15-10-11(16)14-7-6-13-10/h6-7,9H,3-5,8H2,1-2H3,(H,13,15)(H,14,16)
InChIKeySFXZZQOOORLKAY-UHFFFAOYSA-N
XLogP2.15
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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-[(3,3-dimethylcyclopentyl)amino]-1H-pyrazin-2-one
CID 115880977
5-amino-4-[(3,3-dimethylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 137016581
3-[(4-methylcyclohexyl)amino]-1H-pyrazin-2-one
CID 103703038
3-[(2,2-diethyloxan-4-yl)amino]-1H-pyrazin-2-one
CID 115865725
3-(azepan-3-ylamino)-1H-pyrazin-2-one
CID 114570966
3-[(2,3-dimethylcyclohexyl)amino]-1H-pyrazin-2-one
CID 115677773
3-[(2-aminocyclopentyl)amino]-1H-pyrazin-2-one
CID 114570941
3-(1-cyclopentylethylamino)-1H-pyrazin-2-one
CID 114568815
5-chloro-4-N-(3,3-dimethylcyclohexyl)pyrimidine-4,6-diamine
CID 106812467
3-N-(3,3-dimethylcyclopentyl)pyrazine-2,3-diamine
CID 103883799
3-[(1-methylcyclopropyl)methylamino]-1H-pyrazin-2-one
CID 103724924
N-[(1S)-3,3-dimethylcyclohexyl]-2-oxo-1H-pyridine-3-carboxamide
CID 164630158

Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-dimethylcyclohexyl)amino]-1H-pyrazin-2-one?
The IUPAC name of 3-[(3,3-dimethylcyclohexyl)amino]-1H-pyrazin-2-one (CID 114569134) is 3-[(3,3-dimethylcyclohexyl)amino]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[(3,3-dimethylcyclohexyl)amino]-1H-pyrazin-2-one?
The canonical SMILES for 3-[(3,3-dimethylcyclohexyl)amino]-1H-pyrazin-2-one is CC1(C)CCCC(Nc2ncc[nH]c2=O)C1.
What is the InChIKey of 3-[(3,3-dimethylcyclohexyl)amino]-1H-pyrazin-2-one?
The InChIKey is SFXZZQOOORLKAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-12(2)5-3-4-9(8-12)15-10-11(16)14-7-6-13-10/h6-7,9H,3-5,8H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of 3-[(3,3-dimethylcyclohexyl)amino]-1H-pyrazin-2-one?
3-[(3,3-dimethylcyclohexyl)amino]-1H-pyrazin-2-one has a molecular weight of 221.30 g/mol, XLogP of 2.15, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-dimethylcyclohexyl)amino]-1H-pyrazin-2-one is sourced from PubChem (CID 114569134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).