3,5-ditert-butyl-1-methylpyrazin-2-one

C13H22N2O — CID 121325267

IUPAC3,5-ditert-butyl-1-methylpyrazin-2-one
SMILESCn1cc(C(C)(C)C)nc(C(C)(C)C)c1=O
InChIInChI=1S/C13H22N2O/c1-12(2,3)9-8-15(7)11(16)10(14-9)13(4,5)6/h8H,1-7H3
InChIKeyKXXCZLVYAREJMF-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.38
Rot. Bonds

About 3,5-ditert-butyl-1-methylpyrazin-2-one

3,5-ditert-butyl-1-methylpyrazin-2-one (PubChem CID 121325267) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3,5-ditert-butyl-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3,5-ditert-butyl-1-methylpyrazin-2-one
PubChem CID121325267
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3,5-ditert-butyl-1-methylpyrazin-2-one
SMILESCn1cc(C(C)(C)C)nc(C(C)(C)C)c1=O
InChIInChI=1S/C13H22N2O/c1-12(2,3)9-8-15(7)11(16)10(14-9)13(4,5)6/h8H,1-7H3
InChIKeyKXXCZLVYAREJMF-UHFFFAOYSA-N
XLogP2.38
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-ditert-butyl-1-methylpyrazin-2-one?
The IUPAC name of 3,5-ditert-butyl-1-methylpyrazin-2-one (CID 121325267) is 3,5-ditert-butyl-1-methylpyrazin-2-one.
What is the SMILES notation for 3,5-ditert-butyl-1-methylpyrazin-2-one?
The canonical SMILES for 3,5-ditert-butyl-1-methylpyrazin-2-one is Cn1cc(C(C)(C)C)nc(C(C)(C)C)c1=O.
What is the InChIKey of 3,5-ditert-butyl-1-methylpyrazin-2-one?
The InChIKey is KXXCZLVYAREJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-12(2,3)9-8-15(7)11(16)10(14-9)13(4,5)6/h8H,1-7H3.
What are the key properties of 3,5-ditert-butyl-1-methylpyrazin-2-one?
3,5-ditert-butyl-1-methylpyrazin-2-one has a molecular weight of 222.33 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-ditert-butyl-1-methylpyrazin-2-one is sourced from PubChem (CID 121325267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).