1-[5-(2,2-dimethylpropanoyl)pyrazin-2-yl]-2,2-dimethylpropan-1-one

C14H20N2O2 — CID 171717486

IUPAC1-[5-(2,2-dimethylpropanoyl)pyrazin-2-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1cnc(C(=O)C(C)(C)C)cn1
InChIInChI=1S/C14H20N2O2/c1-13(2,3)11(17)9-7-16-10(8-15-9)12(18)14(4,5)6/h7-8H,1-6H3
InChIKeyWTWMAKLBRHOZKR-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.93
Rot. Bonds2

About 1-[5-(2,2-dimethylpropanoyl)pyrazin-2-yl]-2,2-dimethylpropan-1-one

1-[5-(2,2-dimethylpropanoyl)pyrazin-2-yl]-2,2-dimethylpropan-1-one (PubChem CID 171717486) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 1-[5-(2,2-dimethylpropanoyl)pyrazin-2-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[5-(2,2-dimethylpropanoyl)pyrazin-2-yl]-2,2-dimethylpropan-1-one
PubChem CID171717486
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name1-[5-(2,2-dimethylpropanoyl)pyrazin-2-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1cnc(C(=O)C(C)(C)C)cn1
InChIInChI=1S/C14H20N2O2/c1-13(2,3)11(17)9-7-16-10(8-15-9)12(18)14(4,5)6/h7-8H,1-6H3
InChIKeyWTWMAKLBRHOZKR-UHFFFAOYSA-N
XLogP2.93
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,2-dimethylpropanoyl)pyrazin-2-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[5-(2,2-dimethylpropanoyl)pyrazin-2-yl]-2,2-dimethylpropan-1-one (CID 171717486) is 1-[5-(2,2-dimethylpropanoyl)pyrazin-2-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[5-(2,2-dimethylpropanoyl)pyrazin-2-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[5-(2,2-dimethylpropanoyl)pyrazin-2-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)c1cnc(C(=O)C(C)(C)C)cn1.
What is the InChIKey of 1-[5-(2,2-dimethylpropanoyl)pyrazin-2-yl]-2,2-dimethylpropan-1-one?
The InChIKey is WTWMAKLBRHOZKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-13(2,3)11(17)9-7-16-10(8-15-9)12(18)14(4,5)6/h7-8H,1-6H3.
What are the key properties of 1-[5-(2,2-dimethylpropanoyl)pyrazin-2-yl]-2,2-dimethylpropan-1-one?
1-[5-(2,2-dimethylpropanoyl)pyrazin-2-yl]-2,2-dimethylpropan-1-one has a molecular weight of 248.33 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,2-dimethylpropanoyl)pyrazin-2-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 171717486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).