3-propylsulfonyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine

C16H21N5O2S — CID 30849342

IUPAC3-propylsulfonyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine
SMILESCCCS(=O)(=O)c1ccc(N2CCN(c3ccccn3)CC2)nn1
InChIInChI=1S/C16H21N5O2S/c1-2-13-24(22,23)16-7-6-15(18-19-16)21-11-9-20(10-12-21)14-5-3-4-8-17-14/h3-8H,2,9-13H2,1H3
InChIKeyOAYKAUKWQPFVBJ-UHFFFAOYSA-N
MW347.44 g/mol
LogP1.38
Rot. Bonds5

About 3-propylsulfonyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine

3-propylsulfonyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine (PubChem CID 30849342) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 3-propylsulfonyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine.

Molecular Properties

Compound Name3-propylsulfonyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine
PubChem CID30849342
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name3-propylsulfonyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine
SMILESCCCS(=O)(=O)c1ccc(N2CCN(c3ccccn3)CC2)nn1
InChIInChI=1S/C16H21N5O2S/c1-2-13-24(22,23)16-7-6-15(18-19-16)21-11-9-20(10-12-21)14-5-3-4-8-17-14/h3-8H,2,9-13H2,1H3
InChIKeyOAYKAUKWQPFVBJ-UHFFFAOYSA-N
XLogP1.38
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-propylsulfonyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine?
The IUPAC name of 3-propylsulfonyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine (CID 30849342) is 3-propylsulfonyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine.
What is the SMILES notation for 3-propylsulfonyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine?
The canonical SMILES for 3-propylsulfonyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine is CCCS(=O)(=O)c1ccc(N2CCN(c3ccccn3)CC2)nn1.
What is the InChIKey of 3-propylsulfonyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine?
The InChIKey is OAYKAUKWQPFVBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-2-13-24(22,23)16-7-6-15(18-19-16)21-11-9-20(10-12-21)14-5-3-4-8-17-14/h3-8H,2,9-13H2,1H3.
What are the key properties of 3-propylsulfonyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine?
3-propylsulfonyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine has a molecular weight of 347.44 g/mol, XLogP of 1.38, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propylsulfonyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine is sourced from PubChem (CID 30849342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).