5,7-dihydrothieno[3,4-c]pyridazine 6-oxide

C6H6N2OS — CID 22950279

IUPAC5,7-dihydrothieno[3,4-c]pyridazine 6-oxide
SMILESO=S1Cc2ccnnc2C1
InChIInChI=1S/C6H6N2OS/c9-10-3-5-1-2-7-8-6(5)4-10/h1-2H,3-4H2
InChIKeyFMLZMXMTJPUPJL-UHFFFAOYSA-N
MW154.19 g/mol
LogP0.24
Rot. Bonds

About 5,7-dihydrothieno[3,4-c]pyridazine 6-oxide

5,7-dihydrothieno[3,4-c]pyridazine 6-oxide (PubChem CID 22950279) has the molecular formula C6H6N2OS and a molecular weight of 154.19 g/mol. Its IUPAC name is 5,7-dihydrothieno[3,4-c]pyridazine 6-oxide.

Molecular Properties

Compound Name5,7-dihydrothieno[3,4-c]pyridazine 6-oxide
PubChem CID22950279
Molecular FormulaC6H6N2OS
Molecular Weight154.19 g/mol
Exact Mass154.02
IUPAC Name5,7-dihydrothieno[3,4-c]pyridazine 6-oxide
SMILESO=S1Cc2ccnnc2C1
InChIInChI=1S/C6H6N2OS/c9-10-3-5-1-2-7-8-6(5)4-10/h1-2H,3-4H2
InChIKeyFMLZMXMTJPUPJL-UHFFFAOYSA-N
XLogP0.24
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,7-dihydrothieno[3,4-c]pyridazine 6-oxide?
The IUPAC name of 5,7-dihydrothieno[3,4-c]pyridazine 6-oxide (CID 22950279) is 5,7-dihydrothieno[3,4-c]pyridazine 6-oxide.
What is the SMILES notation for 5,7-dihydrothieno[3,4-c]pyridazine 6-oxide?
The canonical SMILES for 5,7-dihydrothieno[3,4-c]pyridazine 6-oxide is O=S1Cc2ccnnc2C1.
What is the InChIKey of 5,7-dihydrothieno[3,4-c]pyridazine 6-oxide?
The InChIKey is FMLZMXMTJPUPJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2OS/c9-10-3-5-1-2-7-8-6(5)4-10/h1-2H,3-4H2.
What are the key properties of 5,7-dihydrothieno[3,4-c]pyridazine 6-oxide?
5,7-dihydrothieno[3,4-c]pyridazine 6-oxide has a molecular weight of 154.19 g/mol, XLogP of 0.24, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dihydrothieno[3,4-c]pyridazine 6-oxide is sourced from PubChem (CID 22950279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).