3-(2-cyclopentylethylamino)-1-propan-2-ylpyrazin-2-one

C14H23N3O — CID 55156222

IUPAC3-(2-cyclopentylethylamino)-1-propan-2-ylpyrazin-2-one
SMILESCC(C)n1ccnc(NCCC2CCCC2)c1=O
InChIInChI=1S/C14H23N3O/c1-11(2)17-10-9-16-13(14(17)18)15-8-7-12-5-3-4-6-12/h9-12H,3-8H2,1-2H3,(H,15,16)
InChIKeyRUVPNEIANMLYGX-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.82
Rot. Bonds5

About 3-(2-cyclopentylethylamino)-1-propan-2-ylpyrazin-2-one

3-(2-cyclopentylethylamino)-1-propan-2-ylpyrazin-2-one (PubChem CID 55156222) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 3-(2-cyclopentylethylamino)-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name3-(2-cyclopentylethylamino)-1-propan-2-ylpyrazin-2-one
PubChem CID55156222
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name3-(2-cyclopentylethylamino)-1-propan-2-ylpyrazin-2-one
SMILESCC(C)n1ccnc(NCCC2CCCC2)c1=O
InChIInChI=1S/C14H23N3O/c1-11(2)17-10-9-16-13(14(17)18)15-8-7-12-5-3-4-6-12/h9-12H,3-8H2,1-2H3,(H,15,16)
InChIKeyRUVPNEIANMLYGX-UHFFFAOYSA-N
XLogP2.82
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopentylethylamino)-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 3-(2-cyclopentylethylamino)-1-propan-2-ylpyrazin-2-one (CID 55156222) is 3-(2-cyclopentylethylamino)-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 3-(2-cyclopentylethylamino)-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 3-(2-cyclopentylethylamino)-1-propan-2-ylpyrazin-2-one is CC(C)n1ccnc(NCCC2CCCC2)c1=O.
What is the InChIKey of 3-(2-cyclopentylethylamino)-1-propan-2-ylpyrazin-2-one?
The InChIKey is RUVPNEIANMLYGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11(2)17-10-9-16-13(14(17)18)15-8-7-12-5-3-4-6-12/h9-12H,3-8H2,1-2H3,(H,15,16).
What are the key properties of 3-(2-cyclopentylethylamino)-1-propan-2-ylpyrazin-2-one?
3-(2-cyclopentylethylamino)-1-propan-2-ylpyrazin-2-one has a molecular weight of 249.36 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopentylethylamino)-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 55156222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).