3-(4-chlorophenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine

C16H12ClN3S — CID 3227974

IUPAC3-(4-chlorophenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine
SMILESClc1ccc(-c2ccc(SCc3ccccn3)nn2)cc1
InChIInChI=1S/C16H12ClN3S/c17-13-6-4-12(5-7-13)15-8-9-16(20-19-15)21-11-14-3-1-2-10-18-14/h1-10H,11H2
InChIKeyANGJLDWAVZOCAK-UHFFFAOYSA-N
MW313.81 g/mol
LogP4.48
Rot. Bonds4

About 3-(4-chlorophenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine

3-(4-chlorophenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine (PubChem CID 3227974) has the molecular formula C16H12ClN3S and a molecular weight of 313.81 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine
PubChem CID3227974
Molecular FormulaC16H12ClN3S
Molecular Weight313.81 g/mol
Exact Mass313.04
IUPAC Name3-(4-chlorophenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine
SMILESClc1ccc(-c2ccc(SCc3ccccn3)nn2)cc1
InChIInChI=1S/C16H12ClN3S/c17-13-6-4-12(5-7-13)15-8-9-16(20-19-15)21-11-14-3-1-2-10-18-14/h1-10H,11H2
InChIKeyANGJLDWAVZOCAK-UHFFFAOYSA-N
XLogP4.48
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine?
The IUPAC name of 3-(4-chlorophenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine (CID 3227974) is 3-(4-chlorophenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine.
What is the SMILES notation for 3-(4-chlorophenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine?
The canonical SMILES for 3-(4-chlorophenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine is Clc1ccc(-c2ccc(SCc3ccccn3)nn2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine?
The InChIKey is ANGJLDWAVZOCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3S/c17-13-6-4-12(5-7-13)15-8-9-16(20-19-15)21-11-14-3-1-2-10-18-14/h1-10H,11H2.
What are the key properties of 3-(4-chlorophenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine?
3-(4-chlorophenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine has a molecular weight of 313.81 g/mol, XLogP of 4.48, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-6-(pyridin-2-ylmethylsulfanyl)pyridazine is sourced from PubChem (CID 3227974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).