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

C11H17N3O — CID 114568815

IUPAC3-(1-cyclopentylethylamino)-1H-pyrazin-2-one
SMILESCC(Nc1ncc[nH]c1=O)C1CCCC1
InChIInChI=1S/C11H17N3O/c1-8(9-4-2-3-5-9)14-10-11(15)13-7-6-12-10/h6-9H,2-5H2,1H3,(H,12,14)(H,13,15)
InChIKeyWVGLFABHPVJDLL-UHFFFAOYSA-N
MW207.28 g/mol
LogP1.76
Rot. Bonds3

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

3-(1-cyclopentylethylamino)-1H-pyrazin-2-one (PubChem CID 114568815) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 3-(1-cyclopentylethylamino)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(1-cyclopentylethylamino)-1H-pyrazin-2-one
PubChem CID114568815
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name3-(1-cyclopentylethylamino)-1H-pyrazin-2-one
SMILESCC(Nc1ncc[nH]c1=O)C1CCCC1
InChIInChI=1S/C11H17N3O/c1-8(9-4-2-3-5-9)14-10-11(15)13-7-6-12-10/h6-9H,2-5H2,1H3,(H,12,14)(H,13,15)
InChIKeyWVGLFABHPVJDLL-UHFFFAOYSA-N
XLogP1.76
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
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-(1-cyclohexylethylamino)-1H-pyrazin-2-one
CID 115657798
3-(1-cyclohexylpropylamino)-1H-pyrazin-2-one
CID 113243776
5-amino-4-(1-cyclopentylethylamino)-1H-pyrimidin-6-one
CID 136975856
4-(1-cyclohexylethylamino)-5-iodo-1H-pyrimidin-6-one
CID 137015485
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-[(4-methylcyclohexyl)amino]-1H-pyrazin-2-one
CID 103703038
3-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1H-pyrazin-2-one
CID 114986519
3-(azepan-3-ylamino)-1H-pyrazin-2-one
CID 114570966
3-(4-aminopentan-2-ylamino)-1H-pyrazin-2-one
CID 114571495
N-(1-cyclopentylethyl)-1-propan-2-ylimidazol-2-amine
CID 106573564
3-[(3,3-dimethylcyclohexyl)amino]-1H-pyrazin-2-one
CID 114569134

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclopentylethylamino)-1H-pyrazin-2-one?
The IUPAC name of 3-(1-cyclopentylethylamino)-1H-pyrazin-2-one (CID 114568815) is 3-(1-cyclopentylethylamino)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(1-cyclopentylethylamino)-1H-pyrazin-2-one?
The canonical SMILES for 3-(1-cyclopentylethylamino)-1H-pyrazin-2-one is CC(Nc1ncc[nH]c1=O)C1CCCC1.
What is the InChIKey of 3-(1-cyclopentylethylamino)-1H-pyrazin-2-one?
The InChIKey is WVGLFABHPVJDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O/c1-8(9-4-2-3-5-9)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-(1-cyclopentylethylamino)-1H-pyrazin-2-one?
3-(1-cyclopentylethylamino)-1H-pyrazin-2-one has a molecular weight of 207.28 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclopentylethylamino)-1H-pyrazin-2-one is sourced from PubChem (CID 114568815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).