3,6-bis(pyridin-2-ylsulfanyl)pyridazine

C14H10N4S2 — CID 11837235

IUPAC3,6-bis(pyridin-2-ylsulfanyl)pyridazine
SMILESc1ccc(Sc2ccc(Sc3ccccn3)nn2)nc1
InChIInChI=1S/C14H10N4S2/c1-3-9-15-11(5-1)19-13-7-8-14(18-17-13)20-12-6-2-4-10-16-12/h1-10H
InChIKeyIDYMXFBJTSMORY-UHFFFAOYSA-N
MW298.40 g/mol
LogP3.57
Rot. Bonds4

About 3,6-bis(pyridin-2-ylsulfanyl)pyridazine

3,6-bis(pyridin-2-ylsulfanyl)pyridazine (PubChem CID 11837235) has the molecular formula C14H10N4S2 and a molecular weight of 298.40 g/mol. Its IUPAC name is 3,6-bis(pyridin-2-ylsulfanyl)pyridazine.

Molecular Properties

Compound Name3,6-bis(pyridin-2-ylsulfanyl)pyridazine
PubChem CID11837235
Molecular FormulaC14H10N4S2
Molecular Weight298.40 g/mol
Exact Mass298.03
IUPAC Name3,6-bis(pyridin-2-ylsulfanyl)pyridazine
SMILESc1ccc(Sc2ccc(Sc3ccccn3)nn2)nc1
InChIInChI=1S/C14H10N4S2/c1-3-9-15-11(5-1)19-13-7-8-14(18-17-13)20-12-6-2-4-10-16-12/h1-10H
InChIKeyIDYMXFBJTSMORY-UHFFFAOYSA-N
XLogP3.57
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.40
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,6-bis(pyridin-2-ylsulfanyl)pyridazine?
The IUPAC name of 3,6-bis(pyridin-2-ylsulfanyl)pyridazine (CID 11837235) is 3,6-bis(pyridin-2-ylsulfanyl)pyridazine.
What is the SMILES notation for 3,6-bis(pyridin-2-ylsulfanyl)pyridazine?
The canonical SMILES for 3,6-bis(pyridin-2-ylsulfanyl)pyridazine is c1ccc(Sc2ccc(Sc3ccccn3)nn2)nc1.
What is the InChIKey of 3,6-bis(pyridin-2-ylsulfanyl)pyridazine?
The InChIKey is IDYMXFBJTSMORY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4S2/c1-3-9-15-11(5-1)19-13-7-8-14(18-17-13)20-12-6-2-4-10-16-12/h1-10H.
What are the key properties of 3,6-bis(pyridin-2-ylsulfanyl)pyridazine?
3,6-bis(pyridin-2-ylsulfanyl)pyridazine has a molecular weight of 298.40 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-bis(pyridin-2-ylsulfanyl)pyridazine is sourced from PubChem (CID 11837235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).