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

C17H23N5O2S — CID 27373823

IUPAC3-tert-butylsulfonyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine
SMILESCC(C)(C)S(=O)(=O)c1ccc(N2CCN(c3ccccn3)CC2)nn1
InChIInChI=1S/C17H23N5O2S/c1-17(2,3)25(23,24)16-8-7-15(19-20-16)22-12-10-21(11-13-22)14-6-4-5-9-18-14/h4-9H,10-13H2,1-3H3
InChIKeyXQZBRWFSCXCKKZ-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.77
Rot. Bonds3

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

3-tert-butylsulfonyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine (PubChem CID 27373823) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 3-tert-butylsulfonyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine.

Molecular Properties

Compound Name3-tert-butylsulfonyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine
PubChem CID27373823
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name3-tert-butylsulfonyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine
SMILESCC(C)(C)S(=O)(=O)c1ccc(N2CCN(c3ccccn3)CC2)nn1
InChIInChI=1S/C17H23N5O2S/c1-17(2,3)25(23,24)16-8-7-15(19-20-16)22-12-10-21(11-13-22)14-6-4-5-9-18-14/h4-9H,10-13H2,1-3H3
InChIKeyXQZBRWFSCXCKKZ-UHFFFAOYSA-N
XLogP1.77
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butylsulfonyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine?
The IUPAC name of 3-tert-butylsulfonyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine (CID 27373823) is 3-tert-butylsulfonyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine.
What is the SMILES notation for 3-tert-butylsulfonyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine?
The canonical SMILES for 3-tert-butylsulfonyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine is CC(C)(C)S(=O)(=O)c1ccc(N2CCN(c3ccccn3)CC2)nn1.
What is the InChIKey of 3-tert-butylsulfonyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine?
The InChIKey is XQZBRWFSCXCKKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-17(2,3)25(23,24)16-8-7-15(19-20-16)22-12-10-21(11-13-22)14-6-4-5-9-18-14/h4-9H,10-13H2,1-3H3.
What are the key properties of 3-tert-butylsulfonyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine?
3-tert-butylsulfonyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine has a molecular weight of 361.47 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butylsulfonyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyridazine is sourced from PubChem (CID 27373823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).