6-methylsulfanyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione

C8H7N3O2S — CID 10512599

IUPAC6-methylsulfanyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
SMILESCSc1ccc2[nH]c(=O)c(=O)[nH]c2n1
InChIInChI=1S/C8H7N3O2S/c1-14-5-3-2-4-6(10-5)11-8(13)7(12)9-4/h2-3H,1H3,(H,9,12)(H,10,11,13)
InChIKeyYPZAURWOBUKIHK-UHFFFAOYSA-N
MW209.23 g/mol
LogP0.33
Rot. Bonds1

About 6-methylsulfanyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione

6-methylsulfanyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione (PubChem CID 10512599) has the molecular formula C8H7N3O2S and a molecular weight of 209.23 g/mol. Its IUPAC name is 6-methylsulfanyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione.

Molecular Properties

Compound Name6-methylsulfanyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
PubChem CID10512599
Molecular FormulaC8H7N3O2S
Molecular Weight209.23 g/mol
Exact Mass209.03
IUPAC Name6-methylsulfanyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione
SMILESCSc1ccc2[nH]c(=O)c(=O)[nH]c2n1
InChIInChI=1S/C8H7N3O2S/c1-14-5-3-2-4-6(10-5)11-8(13)7(12)9-4/h2-3H,1H3,(H,9,12)(H,10,11,13)
InChIKeyYPZAURWOBUKIHK-UHFFFAOYSA-N
XLogP0.33
TPSA78.61 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.23
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
The IUPAC name of 6-methylsulfanyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione (CID 10512599) is 6-methylsulfanyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione.
What is the SMILES notation for 6-methylsulfanyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
The canonical SMILES for 6-methylsulfanyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione is CSc1ccc2[nH]c(=O)c(=O)[nH]c2n1.
What is the InChIKey of 6-methylsulfanyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
The InChIKey is YPZAURWOBUKIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N3O2S/c1-14-5-3-2-4-6(10-5)11-8(13)7(12)9-4/h2-3H,1H3,(H,9,12)(H,10,11,13).
What are the key properties of 6-methylsulfanyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione?
6-methylsulfanyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione has a molecular weight of 209.23 g/mol, XLogP of 0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanyl-1,4-dihydropyrido[2,3-b]pyrazine-2,3-dione is sourced from PubChem (CID 10512599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).