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

C10H11N3O — CID 69097594

IUPAC1-imidazo[1,2-b]pyridazin-3-yl-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cnc2cccnn12
InChIInChI=1S/C10H11N3O/c1-7(2)10(14)8-6-11-9-4-3-5-12-13(8)9/h3-7H,1-2H3
InChIKeyLLSWVCVYHCUPHC-UHFFFAOYSA-N
MW189.22 g/mol
LogP1.57
Rot. Bonds2

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

1-imidazo[1,2-b]pyridazin-3-yl-2-methylpropan-1-one (PubChem CID 69097594) has the molecular formula C10H11N3O and a molecular weight of 189.22 g/mol. Its IUPAC name is 1-imidazo[1,2-b]pyridazin-3-yl-2-methylpropan-1-one.

Molecular Properties

Compound Name1-imidazo[1,2-b]pyridazin-3-yl-2-methylpropan-1-one
PubChem CID69097594
Molecular FormulaC10H11N3O
Molecular Weight189.22 g/mol
Exact Mass189.09
IUPAC Name1-imidazo[1,2-b]pyridazin-3-yl-2-methylpropan-1-one
SMILESCC(C)C(=O)c1cnc2cccnn12
InChIInChI=1S/C10H11N3O/c1-7(2)10(14)8-6-11-9-4-3-5-12-13(8)9/h3-7H,1-2H3
InChIKeyLLSWVCVYHCUPHC-UHFFFAOYSA-N
XLogP1.57
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-imidazo[1,2-b]pyridazin-3-yl-2-methylpropan-1-one?
The IUPAC name of 1-imidazo[1,2-b]pyridazin-3-yl-2-methylpropan-1-one (CID 69097594) is 1-imidazo[1,2-b]pyridazin-3-yl-2-methylpropan-1-one.
What is the SMILES notation for 1-imidazo[1,2-b]pyridazin-3-yl-2-methylpropan-1-one?
The canonical SMILES for 1-imidazo[1,2-b]pyridazin-3-yl-2-methylpropan-1-one is CC(C)C(=O)c1cnc2cccnn12.
What is the InChIKey of 1-imidazo[1,2-b]pyridazin-3-yl-2-methylpropan-1-one?
The InChIKey is LLSWVCVYHCUPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O/c1-7(2)10(14)8-6-11-9-4-3-5-12-13(8)9/h3-7H,1-2H3.
What are the key properties of 1-imidazo[1,2-b]pyridazin-3-yl-2-methylpropan-1-one?
1-imidazo[1,2-b]pyridazin-3-yl-2-methylpropan-1-one has a molecular weight of 189.22 g/mol, XLogP of 1.57, 2 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-methylpropan-1-one is sourced from PubChem (CID 69097594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).