2-tert-butyl-5H-imidazo[1,2-b]pyridazin-8-one

C10H13N3O — CID 59580103

IUPAC2-tert-butyl-5H-imidazo[1,2-b]pyridazin-8-one
SMILESCC(C)(C)c1cn2[nH]ccc(=O)c2n1
InChIInChI=1S/C10H13N3O/c1-10(2,3)8-6-13-9(12-8)7(14)4-5-11-13/h4-6,11H,1-3H3
InChIKeyLXKPXWPSIYFYEG-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.32
Rot. Bonds

About 2-tert-butyl-5H-imidazo[1,2-b]pyridazin-8-one

2-tert-butyl-5H-imidazo[1,2-b]pyridazin-8-one (PubChem CID 59580103) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 2-tert-butyl-5H-imidazo[1,2-b]pyridazin-8-one.

Molecular Properties

Compound Name2-tert-butyl-5H-imidazo[1,2-b]pyridazin-8-one
PubChem CID59580103
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name2-tert-butyl-5H-imidazo[1,2-b]pyridazin-8-one
SMILESCC(C)(C)c1cn2[nH]ccc(=O)c2n1
InChIInChI=1S/C10H13N3O/c1-10(2,3)8-6-13-9(12-8)7(14)4-5-11-13/h4-6,11H,1-3H3
InChIKeyLXKPXWPSIYFYEG-UHFFFAOYSA-N
XLogP1.32
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5H-imidazo[1,2-b]pyridazin-8-one?
The IUPAC name of 2-tert-butyl-5H-imidazo[1,2-b]pyridazin-8-one (CID 59580103) is 2-tert-butyl-5H-imidazo[1,2-b]pyridazin-8-one.
What is the SMILES notation for 2-tert-butyl-5H-imidazo[1,2-b]pyridazin-8-one?
The canonical SMILES for 2-tert-butyl-5H-imidazo[1,2-b]pyridazin-8-one is CC(C)(C)c1cn2[nH]ccc(=O)c2n1.
What is the InChIKey of 2-tert-butyl-5H-imidazo[1,2-b]pyridazin-8-one?
The InChIKey is LXKPXWPSIYFYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-10(2,3)8-6-13-9(12-8)7(14)4-5-11-13/h4-6,11H,1-3H3.
What are the key properties of 2-tert-butyl-5H-imidazo[1,2-b]pyridazin-8-one?
2-tert-butyl-5H-imidazo[1,2-b]pyridazin-8-one has a molecular weight of 191.23 g/mol, XLogP of 1.32, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5H-imidazo[1,2-b]pyridazin-8-one is sourced from PubChem (CID 59580103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).