3-(2-ethylimidazol-1-yl)-1-(2-methylpropyl)pyrazin-2-one

C13H18N4O — CID 55238081

IUPAC3-(2-ethylimidazol-1-yl)-1-(2-methylpropyl)pyrazin-2-one
SMILESCCc1nccn1-c1nccn(CC(C)C)c1=O
InChIInChI=1S/C13H18N4O/c1-4-11-14-6-8-17(11)12-13(18)16(7-5-15-12)9-10(2)3/h5-8,10H,4,9H2,1-3H3
InChIKeyPTHILNYXPIRKJG-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.65
Rot. Bonds4

About 3-(2-ethylimidazol-1-yl)-1-(2-methylpropyl)pyrazin-2-one

3-(2-ethylimidazol-1-yl)-1-(2-methylpropyl)pyrazin-2-one (PubChem CID 55238081) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 3-(2-ethylimidazol-1-yl)-1-(2-methylpropyl)pyrazin-2-one.

Molecular Properties

Compound Name3-(2-ethylimidazol-1-yl)-1-(2-methylpropyl)pyrazin-2-one
PubChem CID55238081
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name3-(2-ethylimidazol-1-yl)-1-(2-methylpropyl)pyrazin-2-one
SMILESCCc1nccn1-c1nccn(CC(C)C)c1=O
InChIInChI=1S/C13H18N4O/c1-4-11-14-6-8-17(11)12-13(18)16(7-5-15-12)9-10(2)3/h5-8,10H,4,9H2,1-3H3
InChIKeyPTHILNYXPIRKJG-UHFFFAOYSA-N
XLogP1.65
TPSA52.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methylpropyl)-3-pyrazol-1-ylpyrazin-2-one
CID 63810541
3-[4-(2-chloroethyl)piperazin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 63392127
4-methyl-1-[4-(2-methylpropyl)-3-oxopyrazin-2-yl]pyrrolidine-3-carboxylic acid
CID 63721569
2-(2-ethylimidazol-1-yl)-3-methylpyrazine
CID 83066556
3-[4-(2-methylphenyl)piperazin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 133424216
1-(2-methylpropyl)-3-(pentylamino)pyrazin-2-one
CID 62940519
3-(butan-2-ylamino)-1-(2-methylpropyl)pyrazin-2-one
CID 62939478
3-[3-(chloromethyl)piperidin-1-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 55184247
3-(4-hydroxy-4-methylazepan-1-yl)-1-(2-methylpropyl)pyrazin-2-one
CID 107407490
3-[2-(dimethylamino)propylamino]-1-(2-methylpropyl)pyrazin-2-one
CID 62938830
3-[2-(bromomethyl)-6-methylmorpholin-4-yl]-1-(2-methylpropyl)pyrazin-2-one
CID 102937175
4-(2-ethylimidazol-1-yl)-2-propan-2-ylpyrazolo[1,5-a]pyrazine
CID 104734381

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethylimidazol-1-yl)-1-(2-methylpropyl)pyrazin-2-one?
The IUPAC name of 3-(2-ethylimidazol-1-yl)-1-(2-methylpropyl)pyrazin-2-one (CID 55238081) is 3-(2-ethylimidazol-1-yl)-1-(2-methylpropyl)pyrazin-2-one.
What is the SMILES notation for 3-(2-ethylimidazol-1-yl)-1-(2-methylpropyl)pyrazin-2-one?
The canonical SMILES for 3-(2-ethylimidazol-1-yl)-1-(2-methylpropyl)pyrazin-2-one is CCc1nccn1-c1nccn(CC(C)C)c1=O.
What is the InChIKey of 3-(2-ethylimidazol-1-yl)-1-(2-methylpropyl)pyrazin-2-one?
The InChIKey is PTHILNYXPIRKJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-4-11-14-6-8-17(11)12-13(18)16(7-5-15-12)9-10(2)3/h5-8,10H,4,9H2,1-3H3.
What are the key properties of 3-(2-ethylimidazol-1-yl)-1-(2-methylpropyl)pyrazin-2-one?
3-(2-ethylimidazol-1-yl)-1-(2-methylpropyl)pyrazin-2-one has a molecular weight of 246.31 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethylimidazol-1-yl)-1-(2-methylpropyl)pyrazin-2-one is sourced from PubChem (CID 55238081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).