1-(2-methylbutan-2-yl)pyrazin-2-one

C9H14N2O — CID 89111863

IUPAC1-(2-methylbutan-2-yl)pyrazin-2-one
SMILESCCC(C)(C)n1ccncc1=O
InChIInChI=1S/C9H14N2O/c1-4-9(2,3)11-6-5-10-7-8(11)12/h5-7H,4H2,1-3H3
InChIKeyQXWZGBLFLCRVRQ-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.39
Rot. Bonds2

About 1-(2-methylbutan-2-yl)pyrazin-2-one

1-(2-methylbutan-2-yl)pyrazin-2-one (PubChem CID 89111863) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-(2-methylbutan-2-yl)pyrazin-2-one.

Molecular Properties

Compound Name1-(2-methylbutan-2-yl)pyrazin-2-one
PubChem CID89111863
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-(2-methylbutan-2-yl)pyrazin-2-one
SMILESCCC(C)(C)n1ccncc1=O
InChIInChI=1S/C9H14N2O/c1-4-9(2,3)11-6-5-10-7-8(11)12/h5-7H,4H2,1-3H3
InChIKeyQXWZGBLFLCRVRQ-UHFFFAOYSA-N
XLogP1.39
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylbutan-2-yl)pyrazin-2-one?
The IUPAC name of 1-(2-methylbutan-2-yl)pyrazin-2-one (CID 89111863) is 1-(2-methylbutan-2-yl)pyrazin-2-one.
What is the SMILES notation for 1-(2-methylbutan-2-yl)pyrazin-2-one?
The canonical SMILES for 1-(2-methylbutan-2-yl)pyrazin-2-one is CCC(C)(C)n1ccncc1=O.
What is the InChIKey of 1-(2-methylbutan-2-yl)pyrazin-2-one?
The InChIKey is QXWZGBLFLCRVRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-4-9(2,3)11-6-5-10-7-8(11)12/h5-7H,4H2,1-3H3.
What are the key properties of 1-(2-methylbutan-2-yl)pyrazin-2-one?
1-(2-methylbutan-2-yl)pyrazin-2-one has a molecular weight of 166.22 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylbutan-2-yl)pyrazin-2-one is sourced from PubChem (CID 89111863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).