3-(4-propan-2-ylpiperazin-1-yl)-6-(4-propylsulfonylphenyl)pyridazine

C20H28N4O2S — CID 11200075

IUPAC3-(4-propan-2-ylpiperazin-1-yl)-6-(4-propylsulfonylphenyl)pyridazine
SMILESCCCS(=O)(=O)c1ccc(-c2ccc(N3CCN(C(C)C)CC3)nn2)cc1
InChIInChI=1S/C20H28N4O2S/c1-4-15-27(25,26)18-7-5-17(6-8-18)19-9-10-20(22-21-19)24-13-11-23(12-14-24)16(2)3/h5-10,16H,4,11-15H2,1-3H3
InChIKeyNATISIMJNFMYND-UHFFFAOYSA-N
MW388.54 g/mol
LogP2.86
Rot. Bonds6

About 3-(4-propan-2-ylpiperazin-1-yl)-6-(4-propylsulfonylphenyl)pyridazine

3-(4-propan-2-ylpiperazin-1-yl)-6-(4-propylsulfonylphenyl)pyridazine (PubChem CID 11200075) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is 3-(4-propan-2-ylpiperazin-1-yl)-6-(4-propylsulfonylphenyl)pyridazine.

Molecular Properties

Compound Name3-(4-propan-2-ylpiperazin-1-yl)-6-(4-propylsulfonylphenyl)pyridazine
PubChem CID11200075
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC Name3-(4-propan-2-ylpiperazin-1-yl)-6-(4-propylsulfonylphenyl)pyridazine
SMILESCCCS(=O)(=O)c1ccc(-c2ccc(N3CCN(C(C)C)CC3)nn2)cc1
InChIInChI=1S/C20H28N4O2S/c1-4-15-27(25,26)18-7-5-17(6-8-18)19-9-10-20(22-21-19)24-13-11-23(12-14-24)16(2)3/h5-10,16H,4,11-15H2,1-3H3
InChIKeyNATISIMJNFMYND-UHFFFAOYSA-N
XLogP2.86
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(4-propan-2-ylpiperazin-1-yl)-6-(4-propylsulfonylphenyl)pyridazine?
The IUPAC name of 3-(4-propan-2-ylpiperazin-1-yl)-6-(4-propylsulfonylphenyl)pyridazine (CID 11200075) is 3-(4-propan-2-ylpiperazin-1-yl)-6-(4-propylsulfonylphenyl)pyridazine.
What is the SMILES notation for 3-(4-propan-2-ylpiperazin-1-yl)-6-(4-propylsulfonylphenyl)pyridazine?
The canonical SMILES for 3-(4-propan-2-ylpiperazin-1-yl)-6-(4-propylsulfonylphenyl)pyridazine is CCCS(=O)(=O)c1ccc(-c2ccc(N3CCN(C(C)C)CC3)nn2)cc1.
What is the InChIKey of 3-(4-propan-2-ylpiperazin-1-yl)-6-(4-propylsulfonylphenyl)pyridazine?
The InChIKey is NATISIMJNFMYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-4-15-27(25,26)18-7-5-17(6-8-18)19-9-10-20(22-21-19)24-13-11-23(12-14-24)16(2)3/h5-10,16H,4,11-15H2,1-3H3.
What are the key properties of 3-(4-propan-2-ylpiperazin-1-yl)-6-(4-propylsulfonylphenyl)pyridazine?
3-(4-propan-2-ylpiperazin-1-yl)-6-(4-propylsulfonylphenyl)pyridazine has a molecular weight of 388.54 g/mol, XLogP of 2.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-propan-2-ylpiperazin-1-yl)-6-(4-propylsulfonylphenyl)pyridazine is sourced from PubChem (CID 11200075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).