2-bromo-6-(3,3-dimethylpiperazin-1-yl)-8-methylimidazo[1,2-b]pyridazine

C13H18BrN5 — CID 67145630

IUPAC2-bromo-6-(3,3-dimethylpiperazin-1-yl)-8-methylimidazo[1,2-b]pyridazine
SMILESCc1cc(N2CCNC(C)(C)C2)nn2cc(Br)nc12
InChIInChI=1S/C13H18BrN5/c1-9-6-11(17-19-7-10(14)16-12(9)19)18-5-4-15-13(2,3)8-18/h6-7,15H,4-5,8H2,1-3H3
InChIKeyZWBDDRVHOLXTOD-UHFFFAOYSA-N
MW324.23 g/mol
LogP1.99
Rot. Bonds1

About 2-bromo-6-(3,3-dimethylpiperazin-1-yl)-8-methylimidazo[1,2-b]pyridazine

2-bromo-6-(3,3-dimethylpiperazin-1-yl)-8-methylimidazo[1,2-b]pyridazine (PubChem CID 67145630) has the molecular formula C13H18BrN5 and a molecular weight of 324.23 g/mol. Its IUPAC name is 2-bromo-6-(3,3-dimethylpiperazin-1-yl)-8-methylimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-bromo-6-(3,3-dimethylpiperazin-1-yl)-8-methylimidazo[1,2-b]pyridazine
PubChem CID67145630
Molecular FormulaC13H18BrN5
Molecular Weight324.23 g/mol
Exact Mass323.07
IUPAC Name2-bromo-6-(3,3-dimethylpiperazin-1-yl)-8-methylimidazo[1,2-b]pyridazine
SMILESCc1cc(N2CCNC(C)(C)C2)nn2cc(Br)nc12
InChIInChI=1S/C13H18BrN5/c1-9-6-11(17-19-7-10(14)16-12(9)19)18-5-4-15-13(2,3)8-18/h6-7,15H,4-5,8H2,1-3H3
InChIKeyZWBDDRVHOLXTOD-UHFFFAOYSA-N
XLogP1.99
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.23
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-6-(3,3-dimethylpiperazin-1-yl)-8-methylimidazo[1,2-b]pyridazine?
The IUPAC name of 2-bromo-6-(3,3-dimethylpiperazin-1-yl)-8-methylimidazo[1,2-b]pyridazine (CID 67145630) is 2-bromo-6-(3,3-dimethylpiperazin-1-yl)-8-methylimidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-bromo-6-(3,3-dimethylpiperazin-1-yl)-8-methylimidazo[1,2-b]pyridazine?
The canonical SMILES for 2-bromo-6-(3,3-dimethylpiperazin-1-yl)-8-methylimidazo[1,2-b]pyridazine is Cc1cc(N2CCNC(C)(C)C2)nn2cc(Br)nc12.
What is the InChIKey of 2-bromo-6-(3,3-dimethylpiperazin-1-yl)-8-methylimidazo[1,2-b]pyridazine?
The InChIKey is ZWBDDRVHOLXTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN5/c1-9-6-11(17-19-7-10(14)16-12(9)19)18-5-4-15-13(2,3)8-18/h6-7,15H,4-5,8H2,1-3H3.
What are the key properties of 2-bromo-6-(3,3-dimethylpiperazin-1-yl)-8-methylimidazo[1,2-b]pyridazine?
2-bromo-6-(3,3-dimethylpiperazin-1-yl)-8-methylimidazo[1,2-b]pyridazine has a molecular weight of 324.23 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-6-(3,3-dimethylpiperazin-1-yl)-8-methylimidazo[1,2-b]pyridazine is sourced from PubChem (CID 67145630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).