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

C12H19N3O — CID 115677773

IUPAC3-[(2,3-dimethylcyclohexyl)amino]-1H-pyrazin-2-one
SMILESCC1CCCC(Nc2ncc[nH]c2=O)C1C
InChIInChI=1S/C12H19N3O/c1-8-4-3-5-10(9(8)2)15-11-12(16)14-7-6-13-11/h6-10H,3-5H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyASKSMPOMKFUESZ-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.01
Rot. Bonds2

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

3-[(2,3-dimethylcyclohexyl)amino]-1H-pyrazin-2-one (PubChem CID 115677773) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-[(2,3-dimethylcyclohexyl)amino]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[(2,3-dimethylcyclohexyl)amino]-1H-pyrazin-2-one
PubChem CID115677773
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-[(2,3-dimethylcyclohexyl)amino]-1H-pyrazin-2-one
SMILESCC1CCCC(Nc2ncc[nH]c2=O)C1C
InChIInChI=1S/C12H19N3O/c1-8-4-3-5-10(9(8)2)15-11-12(16)14-7-6-13-11/h6-10H,3-5H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyASKSMPOMKFUESZ-UHFFFAOYSA-N
XLogP2.01
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 ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(2-aminocyclopentyl)amino]-1H-pyrazin-2-one
CID 114570941
3-[[2-(hydroxymethyl)cyclopentyl]amino]-1H-pyrazin-2-one
CID 103703713
3-[(2-methyloxolan-3-yl)amino]-1H-pyrazin-2-one
CID 115868834
3-[(4-methylcyclohexyl)amino]-1H-pyrazin-2-one
CID 103703038
3-[(2-methylcyclohexyl)methylamino]-1H-pyrazin-2-one
CID 115657213
3-bromo-N-(2,3-dimethylcyclohexyl)-4-methylpyridin-2-amine
CID 106875451
5-bromo-4-N-(2,3-dimethylcyclohexyl)pyrimidine-4,6-diamine
CID 114071933
N-(2,3-dimethylcyclohexyl)pyrimidin-2-amine
CID 43080219
N-[(1S,2R,3R)-2,3-dimethylcyclohexyl]-3-nitropyridin-2-amine
CID 11938982
3-[(3,3-dimethylcyclohexyl)amino]-1H-pyrazin-2-one
CID 114569134
3-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1H-pyrazin-2-one
CID 115694801
3-(azepan-3-ylamino)-1H-pyrazin-2-one
CID 114570966

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dimethylcyclohexyl)amino]-1H-pyrazin-2-one?
The IUPAC name of 3-[(2,3-dimethylcyclohexyl)amino]-1H-pyrazin-2-one (CID 115677773) is 3-[(2,3-dimethylcyclohexyl)amino]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[(2,3-dimethylcyclohexyl)amino]-1H-pyrazin-2-one?
The canonical SMILES for 3-[(2,3-dimethylcyclohexyl)amino]-1H-pyrazin-2-one is CC1CCCC(Nc2ncc[nH]c2=O)C1C.
What is the InChIKey of 3-[(2,3-dimethylcyclohexyl)amino]-1H-pyrazin-2-one?
The InChIKey is ASKSMPOMKFUESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-8-4-3-5-10(9(8)2)15-11-12(16)14-7-6-13-11/h6-10H,3-5H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of 3-[(2,3-dimethylcyclohexyl)amino]-1H-pyrazin-2-one?
3-[(2,3-dimethylcyclohexyl)amino]-1H-pyrazin-2-one has a molecular weight of 221.30 g/mol, XLogP of 2.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dimethylcyclohexyl)amino]-1H-pyrazin-2-one is sourced from PubChem (CID 115677773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).