1-(5-methylcyclohepta-1,4,6-trien-1-yl)pyrazin-2-one

C12H12N2O — CID 67556864

IUPAC1-(5-methylcyclohepta-1,4,6-trien-1-yl)pyrazin-2-one
SMILESCC1=CCC=C(n2ccncc2=O)C=C1
InChIInChI=1S/C12H12N2O/c1-10-3-2-4-11(6-5-10)14-8-7-13-9-12(14)15/h3-9H,2H2,1H3
InChIKeyZIQGTISCIDARJD-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.99
Rot. Bonds1

About 1-(5-methylcyclohepta-1,4,6-trien-1-yl)pyrazin-2-one

1-(5-methylcyclohepta-1,4,6-trien-1-yl)pyrazin-2-one (PubChem CID 67556864) has the molecular formula C12H12N2O and a molecular weight of 200.24 g/mol. Its IUPAC name is 1-(5-methylcyclohepta-1,4,6-trien-1-yl)pyrazin-2-one.

Molecular Properties

Compound Name1-(5-methylcyclohepta-1,4,6-trien-1-yl)pyrazin-2-one
PubChem CID67556864
Molecular FormulaC12H12N2O
Molecular Weight200.24 g/mol
Exact Mass200.09
IUPAC Name1-(5-methylcyclohepta-1,4,6-trien-1-yl)pyrazin-2-one
SMILESCC1=CCC=C(n2ccncc2=O)C=C1
InChIInChI=1S/C12H12N2O/c1-10-3-2-4-11(6-5-10)14-8-7-13-9-12(14)15/h3-9H,2H2,1H3
InChIKeyZIQGTISCIDARJD-UHFFFAOYSA-N
XLogP1.99
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylcyclohepta-1,4,6-trien-1-yl)pyrazin-2-one?
The IUPAC name of 1-(5-methylcyclohepta-1,4,6-trien-1-yl)pyrazin-2-one (CID 67556864) is 1-(5-methylcyclohepta-1,4,6-trien-1-yl)pyrazin-2-one.
What is the SMILES notation for 1-(5-methylcyclohepta-1,4,6-trien-1-yl)pyrazin-2-one?
The canonical SMILES for 1-(5-methylcyclohepta-1,4,6-trien-1-yl)pyrazin-2-one is CC1=CCC=C(n2ccncc2=O)C=C1.
What is the InChIKey of 1-(5-methylcyclohepta-1,4,6-trien-1-yl)pyrazin-2-one?
The InChIKey is ZIQGTISCIDARJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O/c1-10-3-2-4-11(6-5-10)14-8-7-13-9-12(14)15/h3-9H,2H2,1H3.
What are the key properties of 1-(5-methylcyclohepta-1,4,6-trien-1-yl)pyrazin-2-one?
1-(5-methylcyclohepta-1,4,6-trien-1-yl)pyrazin-2-one has a molecular weight of 200.24 g/mol, XLogP of 1.99, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylcyclohepta-1,4,6-trien-1-yl)pyrazin-2-one is sourced from PubChem (CID 67556864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).