1-imidazo[1,2-b]pyridazin-2-ylpropan-2-ol

C9H11N3O — CID 83675400

IUPAC1-imidazo[1,2-b]pyridazin-2-ylpropan-2-ol
SMILESCC(O)Cc1cn2ncccc2n1
InChIInChI=1S/C9H11N3O/c1-7(13)5-8-6-12-9(11-8)3-2-4-10-12/h2-4,6-7,13H,5H2,1H3
InChIKeyAQCUPUFHPPOVEN-UHFFFAOYSA-N
MW177.21 g/mol
LogP0.65
Rot. Bonds2

About 1-imidazo[1,2-b]pyridazin-2-ylpropan-2-ol

1-imidazo[1,2-b]pyridazin-2-ylpropan-2-ol (PubChem CID 83675400) has the molecular formula C9H11N3O and a molecular weight of 177.21 g/mol. Its IUPAC name is 1-imidazo[1,2-b]pyridazin-2-ylpropan-2-ol.

Molecular Properties

Compound Name1-imidazo[1,2-b]pyridazin-2-ylpropan-2-ol
PubChem CID83675400
Molecular FormulaC9H11N3O
Molecular Weight177.21 g/mol
Exact Mass177.09
IUPAC Name1-imidazo[1,2-b]pyridazin-2-ylpropan-2-ol
SMILESCC(O)Cc1cn2ncccc2n1
InChIInChI=1S/C9H11N3O/c1-7(13)5-8-6-12-9(11-8)3-2-4-10-12/h2-4,6-7,13H,5H2,1H3
InChIKeyAQCUPUFHPPOVEN-UHFFFAOYSA-N
XLogP0.65
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.21
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-imidazo[1,2-b]pyridazin-2-ylpropan-2-ol?
The IUPAC name of 1-imidazo[1,2-b]pyridazin-2-ylpropan-2-ol (CID 83675400) is 1-imidazo[1,2-b]pyridazin-2-ylpropan-2-ol.
What is the SMILES notation for 1-imidazo[1,2-b]pyridazin-2-ylpropan-2-ol?
The canonical SMILES for 1-imidazo[1,2-b]pyridazin-2-ylpropan-2-ol is CC(O)Cc1cn2ncccc2n1.
What is the InChIKey of 1-imidazo[1,2-b]pyridazin-2-ylpropan-2-ol?
The InChIKey is AQCUPUFHPPOVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O/c1-7(13)5-8-6-12-9(11-8)3-2-4-10-12/h2-4,6-7,13H,5H2,1H3.
What are the key properties of 1-imidazo[1,2-b]pyridazin-2-ylpropan-2-ol?
1-imidazo[1,2-b]pyridazin-2-ylpropan-2-ol has a molecular weight of 177.21 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazo[1,2-b]pyridazin-2-ylpropan-2-ol is sourced from PubChem (CID 83675400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).