1-imidazo[1,2-b]pyridazin-3-yl-2,2-dimethylpropan-1-one

C11H13N3O — CID 171409936

IUPAC1-imidazo[1,2-b]pyridazin-3-yl-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1cnc2cccnn12
InChIInChI=1S/C11H13N3O/c1-11(2,3)10(15)8-7-12-9-5-4-6-13-14(8)9/h4-7H,1-3H3
InChIKeyGBSGAZBVSFDOQL-UHFFFAOYSA-N
MW203.25 g/mol
LogP1.96
Rot. Bonds1

About 1-imidazo[1,2-b]pyridazin-3-yl-2,2-dimethylpropan-1-one

1-imidazo[1,2-b]pyridazin-3-yl-2,2-dimethylpropan-1-one (PubChem CID 171409936) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 1-imidazo[1,2-b]pyridazin-3-yl-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-imidazo[1,2-b]pyridazin-3-yl-2,2-dimethylpropan-1-one
PubChem CID171409936
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name1-imidazo[1,2-b]pyridazin-3-yl-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)c1cnc2cccnn12
InChIInChI=1S/C11H13N3O/c1-11(2,3)10(15)8-7-12-9-5-4-6-13-14(8)9/h4-7H,1-3H3
InChIKeyGBSGAZBVSFDOQL-UHFFFAOYSA-N
XLogP1.96
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(6-Chloroimidazo(1,2-b)pyridazin-3-yl)ethan-1-one
CID 13248805
Imidazo[1,2-b]pyridazine-3-carboxaldehyde
CID 45083595
2-Tert-butylimidazo[1,2-b]pyridazine
CID 57911917
1-Imidazo[1,2-a]pyridin-3-yl-2,2-dimethylpropan-1-one
CID 162419327
6-(3-Fluoropiperidin-1-yl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 89515691
6-[3-(Trifluoromethyl)piperidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 126708664
1-(6-Fluoroimidazo[1,2-b]pyridazin-3-yl)ethanone
CID 141437127
2-Bromo-1-(6-fluoroimidazo[1,2-b]pyridazin-3-yl)ethanone
CID 141437142
1-[6-[(2R)-2-(5-fluorocyclohexa-2,4-dien-1-yl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]ethanone
CID 144344739
6-[(2S,4S)-4-fluoro-2-methylpyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 166676603
6-Fluoroimidazo[1,2-b]pyridazine-2-carbaldehyde
CID 170973287
6-ethenyl-N-methylimidazo[1,2-b]pyridazine-2-carboxamide
CID 176431754

Frequently Asked Questions

What is the IUPAC name of 1-imidazo[1,2-b]pyridazin-3-yl-2,2-dimethylpropan-1-one?
The IUPAC name of 1-imidazo[1,2-b]pyridazin-3-yl-2,2-dimethylpropan-1-one (CID 171409936) is 1-imidazo[1,2-b]pyridazin-3-yl-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-imidazo[1,2-b]pyridazin-3-yl-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-imidazo[1,2-b]pyridazin-3-yl-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)c1cnc2cccnn12.
What is the InChIKey of 1-imidazo[1,2-b]pyridazin-3-yl-2,2-dimethylpropan-1-one?
The InChIKey is GBSGAZBVSFDOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c1-11(2,3)10(15)8-7-12-9-5-4-6-13-14(8)9/h4-7H,1-3H3.
What are the key properties of 1-imidazo[1,2-b]pyridazin-3-yl-2,2-dimethylpropan-1-one?
1-imidazo[1,2-b]pyridazin-3-yl-2,2-dimethylpropan-1-one has a molecular weight of 203.25 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazo[1,2-b]pyridazin-3-yl-2,2-dimethylpropan-1-one is sourced from PubChem (CID 171409936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).