1-tert-butyl-3-methylpyrazin-2-one

C9H14N2O — CID 169075121

IUPAC1-tert-butyl-3-methylpyrazin-2-one
SMILESCc1nccn(C(C)(C)C)c1=O
InChIInChI=1S/C9H14N2O/c1-7-8(12)11(6-5-10-7)9(2,3)4/h5-6H,1-4H3
InChIKeyKEWVYXBMHLPGDZ-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.31
Rot. Bonds

About 1-tert-butyl-3-methylpyrazin-2-one

1-tert-butyl-3-methylpyrazin-2-one (PubChem CID 169075121) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 1-tert-butyl-3-methylpyrazin-2-one.

Molecular Properties

Compound Name1-tert-butyl-3-methylpyrazin-2-one
PubChem CID169075121
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name1-tert-butyl-3-methylpyrazin-2-one
SMILESCc1nccn(C(C)(C)C)c1=O
InChIInChI=1S/C9H14N2O/c1-7-8(12)11(6-5-10-7)9(2,3)4/h5-6H,1-4H3
InChIKeyKEWVYXBMHLPGDZ-UHFFFAOYSA-N
XLogP1.31
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-methylpyrazin-2-one?
The IUPAC name of 1-tert-butyl-3-methylpyrazin-2-one (CID 169075121) is 1-tert-butyl-3-methylpyrazin-2-one.
What is the SMILES notation for 1-tert-butyl-3-methylpyrazin-2-one?
The canonical SMILES for 1-tert-butyl-3-methylpyrazin-2-one is Cc1nccn(C(C)(C)C)c1=O.
What is the InChIKey of 1-tert-butyl-3-methylpyrazin-2-one?
The InChIKey is KEWVYXBMHLPGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-7-8(12)11(6-5-10-7)9(2,3)4/h5-6H,1-4H3.
What are the key properties of 1-tert-butyl-3-methylpyrazin-2-one?
1-tert-butyl-3-methylpyrazin-2-one has a molecular weight of 166.22 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-methylpyrazin-2-one is sourced from PubChem (CID 169075121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).