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

C11H17N3O — CID 115880977

IUPAC3-[(3,3-dimethylcyclopentyl)amino]-1H-pyrazin-2-one
SMILESCC1(C)CCC(Nc2ncc[nH]c2=O)C1
InChIInChI=1S/C11H17N3O/c1-11(2)4-3-8(7-11)14-9-10(15)13-6-5-12-9/h5-6,8H,3-4,7H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyYLOKSGSQCYZFSX-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.76
Rot. Bonds2

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

3-[(3,3-dimethylcyclopentyl)amino]-1H-pyrazin-2-one (PubChem CID 115880977) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-[(3,3-dimethylcyclopentyl)amino]-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-[(3,3-dimethylcyclopentyl)amino]-1H-pyrazin-2-one
PubChem CID115880977
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-[(3,3-dimethylcyclopentyl)amino]-1H-pyrazin-2-one
SMILESCC1(C)CCC(Nc2ncc[nH]c2=O)C1
InChIInChI=1S/C11H17N3O/c1-11(2)4-3-8(7-11)14-9-10(15)13-6-5-12-9/h5-6,8H,3-4,7H2,1-2H3,(H,12,14)(H,13,15)
InChIKeyYLOKSGSQCYZFSX-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-dimethylcyclohexyl)amino]-1H-pyrazin-2-one
CID 114569134
3-[(4-methylcyclohexyl)amino]-1H-pyrazin-2-one
CID 103703038
3-[(2,2-diethyloxan-4-yl)amino]-1H-pyrazin-2-one
CID 115865725
3-N-(3,3-dimethylcyclopentyl)pyrazine-2,3-diamine
CID 103883799
3-(azepan-3-ylamino)-1H-pyrazin-2-one
CID 114570966
N-(1H-imidazol-2-ylmethyl)-3,3-dimethylcyclopentan-1-amine
CID 80705410
N-(3,3-dimethylcyclopentyl)isoquinolin-1-amine
CID 114548093
4-N-(3,3-dimethylcyclopentyl)-5-ethylpyrimidine-4,6-diamine
CID 114542173
5-amino-4-[(3,3-dimethylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 137016581
6-[(3,3-dimethylcyclopentyl)amino]-2,4-dimethyl-1,2,4-triazine-3,5-dione
CID 115881029
3-[(1-methylcyclopropyl)methylamino]-1H-pyrazin-2-one
CID 103724924
3-[(2-methyloxolan-3-yl)amino]-1H-pyrazin-2-one
CID 115868834

Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-dimethylcyclopentyl)amino]-1H-pyrazin-2-one?
The IUPAC name of 3-[(3,3-dimethylcyclopentyl)amino]-1H-pyrazin-2-one (CID 115880977) is 3-[(3,3-dimethylcyclopentyl)amino]-1H-pyrazin-2-one.
What is the SMILES notation for 3-[(3,3-dimethylcyclopentyl)amino]-1H-pyrazin-2-one?
The canonical SMILES for 3-[(3,3-dimethylcyclopentyl)amino]-1H-pyrazin-2-one is CC1(C)CCC(Nc2ncc[nH]c2=O)C1.
What is the InChIKey of 3-[(3,3-dimethylcyclopentyl)amino]-1H-pyrazin-2-one?
The InChIKey is YLOKSGSQCYZFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-11(2)4-3-8(7-11)14-9-10(15)13-6-5-12-9/h5-6,8H,3-4,7H2,1-2H3,(H,12,14)(H,13,15).
What are the key properties of 3-[(3,3-dimethylcyclopentyl)amino]-1H-pyrazin-2-one?
3-[(3,3-dimethylcyclopentyl)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-[(3,3-dimethylcyclopentyl)amino]-1H-pyrazin-2-one is sourced from PubChem (CID 115880977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).