3-(1-pyridin-3-ylpropan-2-yl)-1H-pyrazin-2-one

C12H13N3O — CID 152749405

IUPAC3-(1-pyridin-3-ylpropan-2-yl)-1H-pyrazin-2-one
SMILESCC(Cc1cccnc1)c1ncc[nH]c1=O
InChIInChI=1S/C12H13N3O/c1-9(7-10-3-2-4-13-8-10)11-12(16)15-6-5-14-11/h2-6,8-9H,7H2,1H3,(H,15,16)
InChIKeyWZAHHCWFOYJTRB-UHFFFAOYSA-N
MW215.26 g/mol
LogP1.51
Rot. Bonds3

About 3-(1-pyridin-3-ylpropan-2-yl)-1H-pyrazin-2-one

3-(1-pyridin-3-ylpropan-2-yl)-1H-pyrazin-2-one (PubChem CID 152749405) has the molecular formula C12H13N3O and a molecular weight of 215.26 g/mol. Its IUPAC name is 3-(1-pyridin-3-ylpropan-2-yl)-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-(1-pyridin-3-ylpropan-2-yl)-1H-pyrazin-2-one
PubChem CID152749405
Molecular FormulaC12H13N3O
Molecular Weight215.26 g/mol
Exact Mass215.11
IUPAC Name3-(1-pyridin-3-ylpropan-2-yl)-1H-pyrazin-2-one
SMILESCC(Cc1cccnc1)c1ncc[nH]c1=O
InChIInChI=1S/C12H13N3O/c1-9(7-10-3-2-4-13-8-10)11-12(16)15-6-5-14-11/h2-6,8-9H,7H2,1H3,(H,15,16)
InChIKeyWZAHHCWFOYJTRB-UHFFFAOYSA-N
XLogP1.51
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-pyridin-3-ylpropane-2-sulfonic acid
CID 162352665
3-(2,2-dimethoxyethyl)pyridine
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2-methyl-1-pyridin-3-ylpentan-3-one
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iron(3+);tris(3-(pyridin-3-ylmethyl)pentane-2,4-dione)
CID 159970189
1-(3-chloro-2-pyridinyl)-2-pyridin-3-ylethanol
CID 103443598
1-(3-bromo-2-pyridinyl)-N-methyl-2-pyridin-3-ylethanamine
CID 113447017
2-methylpropyl(pyridin-3-ylmethyl)azanium
CID 7808850
(2S)-1-pyridin-3-ylbutan-2-amine
CID 93246137
2-bromo-3-pyridin-3-ylpropan-1-ol
CID 70078004
2-methyl-1-phenyl-3-pyridin-3-ylpropan-1-one
CID 104845055
1-[3-(difluoromethyl)phenyl]-2-pyridin-3-ylethanol
CID 113446855

Frequently Asked Questions

What is the IUPAC name of 3-(1-pyridin-3-ylpropan-2-yl)-1H-pyrazin-2-one?
The IUPAC name of 3-(1-pyridin-3-ylpropan-2-yl)-1H-pyrazin-2-one (CID 152749405) is 3-(1-pyridin-3-ylpropan-2-yl)-1H-pyrazin-2-one.
What is the SMILES notation for 3-(1-pyridin-3-ylpropan-2-yl)-1H-pyrazin-2-one?
The canonical SMILES for 3-(1-pyridin-3-ylpropan-2-yl)-1H-pyrazin-2-one is CC(Cc1cccnc1)c1ncc[nH]c1=O.
What is the InChIKey of 3-(1-pyridin-3-ylpropan-2-yl)-1H-pyrazin-2-one?
The InChIKey is WZAHHCWFOYJTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O/c1-9(7-10-3-2-4-13-8-10)11-12(16)15-6-5-14-11/h2-6,8-9H,7H2,1H3,(H,15,16).
What are the key properties of 3-(1-pyridin-3-ylpropan-2-yl)-1H-pyrazin-2-one?
3-(1-pyridin-3-ylpropan-2-yl)-1H-pyrazin-2-one has a molecular weight of 215.26 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-pyridin-3-ylpropan-2-yl)-1H-pyrazin-2-one is sourced from PubChem (CID 152749405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).