3-(4-benzylpiperazin-1-yl)-6-propylsulfonylpyridazine

C18H24N4O2S — CID 30849345

IUPAC3-(4-benzylpiperazin-1-yl)-6-propylsulfonylpyridazine
SMILESCCCS(=O)(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)nn1
InChIInChI=1S/C18H24N4O2S/c1-2-14-25(23,24)18-9-8-17(19-20-18)22-12-10-21(11-13-22)15-16-6-4-3-5-7-16/h3-9H,2,10-15H2,1H3
InChIKeySRBSFEFMJMYBPL-UHFFFAOYSA-N
MW360.48 g/mol
LogP1.98
Rot. Bonds6

About 3-(4-benzylpiperazin-1-yl)-6-propylsulfonylpyridazine

3-(4-benzylpiperazin-1-yl)-6-propylsulfonylpyridazine (PubChem CID 30849345) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 3-(4-benzylpiperazin-1-yl)-6-propylsulfonylpyridazine.

Molecular Properties

Compound Name3-(4-benzylpiperazin-1-yl)-6-propylsulfonylpyridazine
PubChem CID30849345
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name3-(4-benzylpiperazin-1-yl)-6-propylsulfonylpyridazine
SMILESCCCS(=O)(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)nn1
InChIInChI=1S/C18H24N4O2S/c1-2-14-25(23,24)18-9-8-17(19-20-18)22-12-10-21(11-13-22)15-16-6-4-3-5-7-16/h3-9H,2,10-15H2,1H3
InChIKeySRBSFEFMJMYBPL-UHFFFAOYSA-N
XLogP1.98
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-benzylpiperazin-1-yl)-6-propylsulfonylpyridazine?
The IUPAC name of 3-(4-benzylpiperazin-1-yl)-6-propylsulfonylpyridazine (CID 30849345) is 3-(4-benzylpiperazin-1-yl)-6-propylsulfonylpyridazine.
What is the SMILES notation for 3-(4-benzylpiperazin-1-yl)-6-propylsulfonylpyridazine?
The canonical SMILES for 3-(4-benzylpiperazin-1-yl)-6-propylsulfonylpyridazine is CCCS(=O)(=O)c1ccc(N2CCN(Cc3ccccc3)CC2)nn1.
What is the InChIKey of 3-(4-benzylpiperazin-1-yl)-6-propylsulfonylpyridazine?
The InChIKey is SRBSFEFMJMYBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-2-14-25(23,24)18-9-8-17(19-20-18)22-12-10-21(11-13-22)15-16-6-4-3-5-7-16/h3-9H,2,10-15H2,1H3.
What are the key properties of 3-(4-benzylpiperazin-1-yl)-6-propylsulfonylpyridazine?
3-(4-benzylpiperazin-1-yl)-6-propylsulfonylpyridazine has a molecular weight of 360.48 g/mol, XLogP of 1.98, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzylpiperazin-1-yl)-6-propylsulfonylpyridazine is sourced from PubChem (CID 30849345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).