5-tert-butyl-1-propan-2-ylpyrazin-2-one

C11H18N2O — CID 59802801

IUPAC5-tert-butyl-1-propan-2-ylpyrazin-2-one
SMILESCC(C)n1cc(C(C)(C)C)ncc1=O
InChIInChI=1S/C11H18N2O/c1-8(2)13-7-9(11(3,4)5)12-6-10(13)14/h6-8H,1-5H3
InChIKeyUTIPRQJHLSLSIW-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.12
Rot. Bonds1

About 5-tert-butyl-1-propan-2-ylpyrazin-2-one

5-tert-butyl-1-propan-2-ylpyrazin-2-one (PubChem CID 59802801) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 5-tert-butyl-1-propan-2-ylpyrazin-2-one.

Molecular Properties

Compound Name5-tert-butyl-1-propan-2-ylpyrazin-2-one
PubChem CID59802801
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name5-tert-butyl-1-propan-2-ylpyrazin-2-one
SMILESCC(C)n1cc(C(C)(C)C)ncc1=O
InChIInChI=1S/C11H18N2O/c1-8(2)13-7-9(11(3,4)5)12-6-10(13)14/h6-8H,1-5H3
InChIKeyUTIPRQJHLSLSIW-UHFFFAOYSA-N
XLogP2.12
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-propan-2-ylpyrazin-2-one?
The IUPAC name of 5-tert-butyl-1-propan-2-ylpyrazin-2-one (CID 59802801) is 5-tert-butyl-1-propan-2-ylpyrazin-2-one.
What is the SMILES notation for 5-tert-butyl-1-propan-2-ylpyrazin-2-one?
The canonical SMILES for 5-tert-butyl-1-propan-2-ylpyrazin-2-one is CC(C)n1cc(C(C)(C)C)ncc1=O.
What is the InChIKey of 5-tert-butyl-1-propan-2-ylpyrazin-2-one?
The InChIKey is UTIPRQJHLSLSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-8(2)13-7-9(11(3,4)5)12-6-10(13)14/h6-8H,1-5H3.
What are the key properties of 5-tert-butyl-1-propan-2-ylpyrazin-2-one?
5-tert-butyl-1-propan-2-ylpyrazin-2-one has a molecular weight of 194.28 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-propan-2-ylpyrazin-2-one is sourced from PubChem (CID 59802801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).