3-(4-benzyl-3-propylpiperazin-1-yl)-6-methylsulfanylpyridazine

C19H26N4S — CID 133435774

IUPAC3-(4-benzyl-3-propylpiperazin-1-yl)-6-methylsulfanylpyridazine
SMILESCCCC1CN(c2ccc(SC)nn2)CCN1Cc1ccccc1
InChIInChI=1S/C19H26N4S/c1-3-7-17-15-23(18-10-11-19(24-2)21-20-18)13-12-22(17)14-16-8-5-4-6-9-16/h4-6,8-11,17H,3,7,12-15H2,1-2H3
InChIKeyGWFTXZAJSXZVOM-UHFFFAOYSA-N
MW342.51 g/mol
LogP3.69
Rot. Bonds6

About 3-(4-benzyl-3-propylpiperazin-1-yl)-6-methylsulfanylpyridazine

3-(4-benzyl-3-propylpiperazin-1-yl)-6-methylsulfanylpyridazine (PubChem CID 133435774) has the molecular formula C19H26N4S and a molecular weight of 342.51 g/mol. Its IUPAC name is 3-(4-benzyl-3-propylpiperazin-1-yl)-6-methylsulfanylpyridazine.

Molecular Properties

Compound Name3-(4-benzyl-3-propylpiperazin-1-yl)-6-methylsulfanylpyridazine
PubChem CID133435774
Molecular FormulaC19H26N4S
Molecular Weight342.51 g/mol
Exact Mass342.19
IUPAC Name3-(4-benzyl-3-propylpiperazin-1-yl)-6-methylsulfanylpyridazine
SMILESCCCC1CN(c2ccc(SC)nn2)CCN1Cc1ccccc1
InChIInChI=1S/C19H26N4S/c1-3-7-17-15-23(18-10-11-19(24-2)21-20-18)13-12-22(17)14-16-8-5-4-6-9-16/h4-6,8-11,17H,3,7,12-15H2,1-2H3
InChIKeyGWFTXZAJSXZVOM-UHFFFAOYSA-N
XLogP3.69
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.51
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-benzyl-3-propylpiperazin-1-yl)-6-methylsulfanylpyridazine?
The IUPAC name of 3-(4-benzyl-3-propylpiperazin-1-yl)-6-methylsulfanylpyridazine (CID 133435774) is 3-(4-benzyl-3-propylpiperazin-1-yl)-6-methylsulfanylpyridazine.
What is the SMILES notation for 3-(4-benzyl-3-propylpiperazin-1-yl)-6-methylsulfanylpyridazine?
The canonical SMILES for 3-(4-benzyl-3-propylpiperazin-1-yl)-6-methylsulfanylpyridazine is CCCC1CN(c2ccc(SC)nn2)CCN1Cc1ccccc1.
What is the InChIKey of 3-(4-benzyl-3-propylpiperazin-1-yl)-6-methylsulfanylpyridazine?
The InChIKey is GWFTXZAJSXZVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4S/c1-3-7-17-15-23(18-10-11-19(24-2)21-20-18)13-12-22(17)14-16-8-5-4-6-9-16/h4-6,8-11,17H,3,7,12-15H2,1-2H3.
What are the key properties of 3-(4-benzyl-3-propylpiperazin-1-yl)-6-methylsulfanylpyridazine?
3-(4-benzyl-3-propylpiperazin-1-yl)-6-methylsulfanylpyridazine has a molecular weight of 342.51 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzyl-3-propylpiperazin-1-yl)-6-methylsulfanylpyridazine is sourced from PubChem (CID 133435774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).