3-tert-butylsulfonyl-6-(4-phenylpiperazin-1-yl)pyridazine

C18H24N4O2S — CID 27373819

IUPAC3-tert-butylsulfonyl-6-(4-phenylpiperazin-1-yl)pyridazine
SMILESCC(C)(C)S(=O)(=O)c1ccc(N2CCN(c3ccccc3)CC2)nn1
InChIInChI=1S/C18H24N4O2S/c1-18(2,3)25(23,24)17-10-9-16(19-20-17)22-13-11-21(12-14-22)15-7-5-4-6-8-15/h4-10H,11-14H2,1-3H3
InChIKeyUVHPDCUHZPKNNT-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.38
Rot. Bonds3

About 3-tert-butylsulfonyl-6-(4-phenylpiperazin-1-yl)pyridazine

3-tert-butylsulfonyl-6-(4-phenylpiperazin-1-yl)pyridazine (PubChem CID 27373819) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is 3-tert-butylsulfonyl-6-(4-phenylpiperazin-1-yl)pyridazine.

Molecular Properties

Compound Name3-tert-butylsulfonyl-6-(4-phenylpiperazin-1-yl)pyridazine
PubChem CID27373819
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name3-tert-butylsulfonyl-6-(4-phenylpiperazin-1-yl)pyridazine
SMILESCC(C)(C)S(=O)(=O)c1ccc(N2CCN(c3ccccc3)CC2)nn1
InChIInChI=1S/C18H24N4O2S/c1-18(2,3)25(23,24)17-10-9-16(19-20-17)22-13-11-21(12-14-22)15-7-5-4-6-8-15/h4-10H,11-14H2,1-3H3
InChIKeyUVHPDCUHZPKNNT-UHFFFAOYSA-N
XLogP2.38
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-tert-butylsulfonyl-6-(4-phenylpiperazin-1-yl)pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-tert-butylsulfonyl-6-(4-phenylpiperazin-1-yl)pyridazine?
The IUPAC name of 3-tert-butylsulfonyl-6-(4-phenylpiperazin-1-yl)pyridazine (CID 27373819) is 3-tert-butylsulfonyl-6-(4-phenylpiperazin-1-yl)pyridazine.
What is the SMILES notation for 3-tert-butylsulfonyl-6-(4-phenylpiperazin-1-yl)pyridazine?
The canonical SMILES for 3-tert-butylsulfonyl-6-(4-phenylpiperazin-1-yl)pyridazine is CC(C)(C)S(=O)(=O)c1ccc(N2CCN(c3ccccc3)CC2)nn1.
What is the InChIKey of 3-tert-butylsulfonyl-6-(4-phenylpiperazin-1-yl)pyridazine?
The InChIKey is UVHPDCUHZPKNNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-18(2,3)25(23,24)17-10-9-16(19-20-17)22-13-11-21(12-14-22)15-7-5-4-6-8-15/h4-10H,11-14H2,1-3H3.
What are the key properties of 3-tert-butylsulfonyl-6-(4-phenylpiperazin-1-yl)pyridazine?
3-tert-butylsulfonyl-6-(4-phenylpiperazin-1-yl)pyridazine has a molecular weight of 360.48 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylsulfonyl-6-(4-phenylpiperazin-1-yl)pyridazine is sourced from PubChem (CID 27373819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).