1-(3,6-dimethylpyrazin-2-yl)-3-methylbutan-2-one

C11H16N2O — CID 63198639

IUPAC1-(3,6-dimethylpyrazin-2-yl)-3-methylbutan-2-one
SMILESCc1cnc(C)c(CC(=O)C(C)C)n1
InChIInChI=1S/C11H16N2O/c1-7(2)11(14)5-10-9(4)12-6-8(3)13-10/h6-7H,5H2,1-4H3
InChIKeyAYEPOASWPUFHEJ-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.86
Rot. Bonds3

About 1-(3,6-dimethylpyrazin-2-yl)-3-methylbutan-2-one

1-(3,6-dimethylpyrazin-2-yl)-3-methylbutan-2-one (PubChem CID 63198639) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 1-(3,6-dimethylpyrazin-2-yl)-3-methylbutan-2-one.

Molecular Properties

Compound Name1-(3,6-dimethylpyrazin-2-yl)-3-methylbutan-2-one
PubChem CID63198639
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name1-(3,6-dimethylpyrazin-2-yl)-3-methylbutan-2-one
SMILESCc1cnc(C)c(CC(=O)C(C)C)n1
InChIInChI=1S/C11H16N2O/c1-7(2)11(14)5-10-9(4)12-6-8(3)13-10/h6-7H,5H2,1-4H3
InChIKeyAYEPOASWPUFHEJ-UHFFFAOYSA-N
XLogP1.86
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dimethylpyrazin-2-yl)-3-methylbutan-2-one?
The IUPAC name of 1-(3,6-dimethylpyrazin-2-yl)-3-methylbutan-2-one (CID 63198639) is 1-(3,6-dimethylpyrazin-2-yl)-3-methylbutan-2-one.
What is the SMILES notation for 1-(3,6-dimethylpyrazin-2-yl)-3-methylbutan-2-one?
The canonical SMILES for 1-(3,6-dimethylpyrazin-2-yl)-3-methylbutan-2-one is Cc1cnc(C)c(CC(=O)C(C)C)n1.
What is the InChIKey of 1-(3,6-dimethylpyrazin-2-yl)-3-methylbutan-2-one?
The InChIKey is AYEPOASWPUFHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-7(2)11(14)5-10-9(4)12-6-8(3)13-10/h6-7H,5H2,1-4H3.
What are the key properties of 1-(3,6-dimethylpyrazin-2-yl)-3-methylbutan-2-one?
1-(3,6-dimethylpyrazin-2-yl)-3-methylbutan-2-one has a molecular weight of 192.26 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dimethylpyrazin-2-yl)-3-methylbutan-2-one is sourced from PubChem (CID 63198639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).