3-pyridin-2-yl-6-(pyridin-3-ylmethylsulfanyl)pyridazine

C15H12N4S — CID 7162435

IUPAC3-pyridin-2-yl-6-(pyridin-3-ylmethylsulfanyl)pyridazine
SMILESc1ccc(-c2ccc(SCc3cccnc3)nn2)nc1
InChIInChI=1S/C15H12N4S/c1-2-9-17-13(5-1)14-6-7-15(19-18-14)20-11-12-4-3-8-16-10-12/h1-10H,11H2
InChIKeyJKAUTYUWUNAEBM-UHFFFAOYSA-N
MW280.36 g/mol
LogP3.23
Rot. Bonds4

About 3-pyridin-2-yl-6-(pyridin-3-ylmethylsulfanyl)pyridazine

3-pyridin-2-yl-6-(pyridin-3-ylmethylsulfanyl)pyridazine (PubChem CID 7162435) has the molecular formula C15H12N4S and a molecular weight of 280.36 g/mol. Its IUPAC name is 3-pyridin-2-yl-6-(pyridin-3-ylmethylsulfanyl)pyridazine.

Molecular Properties

Compound Name3-pyridin-2-yl-6-(pyridin-3-ylmethylsulfanyl)pyridazine
PubChem CID7162435
Molecular FormulaC15H12N4S
Molecular Weight280.36 g/mol
Exact Mass280.08
IUPAC Name3-pyridin-2-yl-6-(pyridin-3-ylmethylsulfanyl)pyridazine
SMILESc1ccc(-c2ccc(SCc3cccnc3)nn2)nc1
InChIInChI=1S/C15H12N4S/c1-2-9-17-13(5-1)14-6-7-15(19-18-14)20-11-12-4-3-8-16-10-12/h1-10H,11H2
InChIKeyJKAUTYUWUNAEBM-UHFFFAOYSA-N
XLogP3.23
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.36
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-6-(pyridin-3-ylmethylsulfanyl)pyridazine?
The IUPAC name of 3-pyridin-2-yl-6-(pyridin-3-ylmethylsulfanyl)pyridazine (CID 7162435) is 3-pyridin-2-yl-6-(pyridin-3-ylmethylsulfanyl)pyridazine.
What is the SMILES notation for 3-pyridin-2-yl-6-(pyridin-3-ylmethylsulfanyl)pyridazine?
The canonical SMILES for 3-pyridin-2-yl-6-(pyridin-3-ylmethylsulfanyl)pyridazine is c1ccc(-c2ccc(SCc3cccnc3)nn2)nc1.
What is the InChIKey of 3-pyridin-2-yl-6-(pyridin-3-ylmethylsulfanyl)pyridazine?
The InChIKey is JKAUTYUWUNAEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4S/c1-2-9-17-13(5-1)14-6-7-15(19-18-14)20-11-12-4-3-8-16-10-12/h1-10H,11H2.
What are the key properties of 3-pyridin-2-yl-6-(pyridin-3-ylmethylsulfanyl)pyridazine?
3-pyridin-2-yl-6-(pyridin-3-ylmethylsulfanyl)pyridazine has a molecular weight of 280.36 g/mol, XLogP of 3.23, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-6-(pyridin-3-ylmethylsulfanyl)pyridazine is sourced from PubChem (CID 7162435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).