3-methyl-6-methylsulfonyl-1H-pyrazin-2-one

C6H8N2O3S — CID 121297024

IUPAC3-methyl-6-methylsulfonyl-1H-pyrazin-2-one
SMILESCc1ncc(S(C)(=O)=O)[nH]c1=O
InChIInChI=1S/C6H8N2O3S/c1-4-6(9)8-5(3-7-4)12(2,10)11/h3H,1-2H3,(H,8,9)
InChIKeyBRVFPVGVIWHTLO-UHFFFAOYSA-N
MW188.21 g/mol
LogP-0.52
Rot. Bonds1

About 3-methyl-6-methylsulfonyl-1H-pyrazin-2-one

3-methyl-6-methylsulfonyl-1H-pyrazin-2-one (PubChem CID 121297024) has the molecular formula C6H8N2O3S and a molecular weight of 188.21 g/mol. Its IUPAC name is 3-methyl-6-methylsulfonyl-1H-pyrazin-2-one.

Molecular Properties

Compound Name3-methyl-6-methylsulfonyl-1H-pyrazin-2-one
PubChem CID121297024
Molecular FormulaC6H8N2O3S
Molecular Weight188.21 g/mol
Exact Mass188.03
IUPAC Name3-methyl-6-methylsulfonyl-1H-pyrazin-2-one
SMILESCc1ncc(S(C)(=O)=O)[nH]c1=O
InChIInChI=1S/C6H8N2O3S/c1-4-6(9)8-5(3-7-4)12(2,10)11/h3H,1-2H3,(H,8,9)
InChIKeyBRVFPVGVIWHTLO-UHFFFAOYSA-N
XLogP-0.52
TPSA79.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.21
LogP ≤ 5-0.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-methylsulfonyl-1H-pyrazin-2-one?
The IUPAC name of 3-methyl-6-methylsulfonyl-1H-pyrazin-2-one (CID 121297024) is 3-methyl-6-methylsulfonyl-1H-pyrazin-2-one.
What is the SMILES notation for 3-methyl-6-methylsulfonyl-1H-pyrazin-2-one?
The canonical SMILES for 3-methyl-6-methylsulfonyl-1H-pyrazin-2-one is Cc1ncc(S(C)(=O)=O)[nH]c1=O.
What is the InChIKey of 3-methyl-6-methylsulfonyl-1H-pyrazin-2-one?
The InChIKey is BRVFPVGVIWHTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O3S/c1-4-6(9)8-5(3-7-4)12(2,10)11/h3H,1-2H3,(H,8,9).
What are the key properties of 3-methyl-6-methylsulfonyl-1H-pyrazin-2-one?
3-methyl-6-methylsulfonyl-1H-pyrazin-2-one has a molecular weight of 188.21 g/mol, XLogP of -0.52, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-methylsulfonyl-1H-pyrazin-2-one is sourced from PubChem (CID 121297024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).