5,7-dihydrothieno[3,4-b]pyrazine 6,6-dioxide

C6H6N2O2S — CID 15475114

IUPAC5,7-dihydrothieno[3,4-b]pyrazine 6,6-dioxide
SMILESO=S1(=O)Cc2nccnc2C1
InChIInChI=1S/C6H6N2O2S/c9-11(10)3-5-6(4-11)8-2-1-7-5/h1-2H,3-4H2
InChIKeyQHMNKJBEFKNEEV-UHFFFAOYSA-N
MW170.19 g/mol
LogP-0.09
Rot. Bonds

About 5,7-dihydrothieno[3,4-b]pyrazine 6,6-dioxide

5,7-dihydrothieno[3,4-b]pyrazine 6,6-dioxide (PubChem CID 15475114) has the molecular formula C6H6N2O2S and a molecular weight of 170.19 g/mol. Its IUPAC name is 5,7-dihydrothieno[3,4-b]pyrazine 6,6-dioxide.

Molecular Properties

Compound Name5,7-dihydrothieno[3,4-b]pyrazine 6,6-dioxide
PubChem CID15475114
Molecular FormulaC6H6N2O2S
Molecular Weight170.19 g/mol
Exact Mass170.01
IUPAC Name5,7-dihydrothieno[3,4-b]pyrazine 6,6-dioxide
SMILESO=S1(=O)Cc2nccnc2C1
InChIInChI=1S/C6H6N2O2S/c9-11(10)3-5-6(4-11)8-2-1-7-5/h1-2H,3-4H2
InChIKeyQHMNKJBEFKNEEV-UHFFFAOYSA-N
XLogP-0.09
TPSA59.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydrothieno[3,4-b]pyrazine 6,6-dioxide?
The IUPAC name of 5,7-dihydrothieno[3,4-b]pyrazine 6,6-dioxide (CID 15475114) is 5,7-dihydrothieno[3,4-b]pyrazine 6,6-dioxide.
What is the SMILES notation for 5,7-dihydrothieno[3,4-b]pyrazine 6,6-dioxide?
The canonical SMILES for 5,7-dihydrothieno[3,4-b]pyrazine 6,6-dioxide is O=S1(=O)Cc2nccnc2C1.
What is the InChIKey of 5,7-dihydrothieno[3,4-b]pyrazine 6,6-dioxide?
The InChIKey is QHMNKJBEFKNEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O2S/c9-11(10)3-5-6(4-11)8-2-1-7-5/h1-2H,3-4H2.
What are the key properties of 5,7-dihydrothieno[3,4-b]pyrazine 6,6-dioxide?
5,7-dihydrothieno[3,4-b]pyrazine 6,6-dioxide has a molecular weight of 170.19 g/mol, XLogP of -0.09, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydrothieno[3,4-b]pyrazine 6,6-dioxide is sourced from PubChem (CID 15475114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).