3-phenyl-6-(2-piperidin-1-ylethylsulfanyl)pyridazine

C17H21N3S — CID 7672389

IUPAC3-phenyl-6-(2-piperidin-1-ylethylsulfanyl)pyridazine
SMILESc1ccc(-c2ccc(SCCN3CCCCC3)nn2)cc1
InChIInChI=1S/C17H21N3S/c1-3-7-15(8-4-1)16-9-10-17(19-18-16)21-14-13-20-11-5-2-6-12-20/h1,3-4,7-10H,2,5-6,11-14H2
InChIKeyLBGOFHYKRZHFRX-UHFFFAOYSA-N
MW299.44 g/mol
LogP3.72
Rot. Bonds5

About 3-phenyl-6-(2-piperidin-1-ylethylsulfanyl)pyridazine

3-phenyl-6-(2-piperidin-1-ylethylsulfanyl)pyridazine (PubChem CID 7672389) has the molecular formula C17H21N3S and a molecular weight of 299.44 g/mol. Its IUPAC name is 3-phenyl-6-(2-piperidin-1-ylethylsulfanyl)pyridazine.

Molecular Properties

Compound Name3-phenyl-6-(2-piperidin-1-ylethylsulfanyl)pyridazine
PubChem CID7672389
Molecular FormulaC17H21N3S
Molecular Weight299.44 g/mol
Exact Mass299.15
IUPAC Name3-phenyl-6-(2-piperidin-1-ylethylsulfanyl)pyridazine
SMILESc1ccc(-c2ccc(SCCN3CCCCC3)nn2)cc1
InChIInChI=1S/C17H21N3S/c1-3-7-15(8-4-1)16-9-10-17(19-18-16)21-14-13-20-11-5-2-6-12-20/h1,3-4,7-10H,2,5-6,11-14H2
InChIKeyLBGOFHYKRZHFRX-UHFFFAOYSA-N
XLogP3.72
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-6-(2-piperidin-1-ylethylsulfanyl)pyridazine?
The IUPAC name of 3-phenyl-6-(2-piperidin-1-ylethylsulfanyl)pyridazine (CID 7672389) is 3-phenyl-6-(2-piperidin-1-ylethylsulfanyl)pyridazine.
What is the SMILES notation for 3-phenyl-6-(2-piperidin-1-ylethylsulfanyl)pyridazine?
The canonical SMILES for 3-phenyl-6-(2-piperidin-1-ylethylsulfanyl)pyridazine is c1ccc(-c2ccc(SCCN3CCCCC3)nn2)cc1.
What is the InChIKey of 3-phenyl-6-(2-piperidin-1-ylethylsulfanyl)pyridazine?
The InChIKey is LBGOFHYKRZHFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3S/c1-3-7-15(8-4-1)16-9-10-17(19-18-16)21-14-13-20-11-5-2-6-12-20/h1,3-4,7-10H,2,5-6,11-14H2.
What are the key properties of 3-phenyl-6-(2-piperidin-1-ylethylsulfanyl)pyridazine?
3-phenyl-6-(2-piperidin-1-ylethylsulfanyl)pyridazine has a molecular weight of 299.44 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-6-(2-piperidin-1-ylethylsulfanyl)pyridazine is sourced from PubChem (CID 7672389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).