1-tert-butylpyrazin-2-one

C8H12N2O — CID 20658707

IUPAC1-tert-butylpyrazin-2-one
SMILESCC(C)(C)n1ccncc1=O
InChIInChI=1S/C8H12N2O/c1-8(2,3)10-5-4-9-6-7(10)11/h4-6H,1-3H3
InChIKeyZPTRPEQAJOYXTK-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.00
Rot. Bonds

About 1-tert-butylpyrazin-2-one

1-tert-butylpyrazin-2-one (PubChem CID 20658707) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 1-tert-butylpyrazin-2-one.

Molecular Properties

Compound Name1-tert-butylpyrazin-2-one
PubChem CID20658707
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name1-tert-butylpyrazin-2-one
SMILESCC(C)(C)n1ccncc1=O
InChIInChI=1S/C8H12N2O/c1-8(2,3)10-5-4-9-6-7(10)11/h4-6H,1-3H3
InChIKeyZPTRPEQAJOYXTK-UHFFFAOYSA-N
XLogP1.00
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-Acetylpyrazine
CID 69349347
1,6-dimethyl-2(1H)-pyrazinone
CID 6428850
1-(3-Iodo-2,2-dimethylpropyl)pyrazin-2-one
CID 146169850
1-(2-Fluorobutyl)pyrazin-2-one
CID 130645013
1-isopentyl-2(1H)-pyrazinone
CID 6428852
1-Ethylpyrazin-2-one
CID 23061416
1-Propan-2-ylpyrazin-2-one
CID 57640411
1-(2-Methylpropyl)pyrazin-2-one
CID 58125219
1-Butan-2-ylpyrazin-2-one
CID 66924608
1-Pentylpyrazin-2-one
CID 68772025
1-ethyl-5-methylpyrazin-2(1H)-one
CID 68865636
1-(1-acetyl-2H-pyrazin-1-ium-1-yl)ethanone
CID 69774212

Frequently Asked Questions

What is the IUPAC name of 1-tert-butylpyrazin-2-one?
The IUPAC name of 1-tert-butylpyrazin-2-one (CID 20658707) is 1-tert-butylpyrazin-2-one.
What is the SMILES notation for 1-tert-butylpyrazin-2-one?
The canonical SMILES for 1-tert-butylpyrazin-2-one is CC(C)(C)n1ccncc1=O.
What is the InChIKey of 1-tert-butylpyrazin-2-one?
The InChIKey is ZPTRPEQAJOYXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-8(2,3)10-5-4-9-6-7(10)11/h4-6H,1-3H3.
What are the key properties of 1-tert-butylpyrazin-2-one?
1-tert-butylpyrazin-2-one has a molecular weight of 152.20 g/mol, XLogP of 1.00, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylpyrazin-2-one is sourced from PubChem (CID 20658707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).