5-[6-(3-methoxyazetidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]pyridin-3-amine

C15H16N6O — CID 171698233

IUPAC5-[6-(3-methoxyazetidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]pyridin-3-amine
SMILESCOC1CN(c2ccc3ncc(-c4cncc(N)c4)n3n2)C1
InChIInChI=1S/C15H16N6O/c1-22-12-8-20(9-12)15-3-2-14-18-7-13(21(14)19-15)10-4-11(16)6-17-5-10/h2-7,12H,8-9,16H2,1H3
InChIKeyVOURHGLNJJWIIY-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.21
Rot. Bonds3

About 5-[6-(3-methoxyazetidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]pyridin-3-amine

5-[6-(3-methoxyazetidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]pyridin-3-amine (PubChem CID 171698233) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-[6-(3-methoxyazetidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]pyridin-3-amine.

Molecular Properties

Compound Name5-[6-(3-methoxyazetidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]pyridin-3-amine
PubChem CID171698233
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name5-[6-(3-methoxyazetidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]pyridin-3-amine
SMILESCOC1CN(c2ccc3ncc(-c4cncc(N)c4)n3n2)C1
InChIInChI=1S/C15H16N6O/c1-22-12-8-20(9-12)15-3-2-14-18-7-13(21(14)19-15)10-4-11(16)6-17-5-10/h2-7,12H,8-9,16H2,1H3
InChIKeyVOURHGLNJJWIIY-UHFFFAOYSA-N
XLogP1.21
TPSA81.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(3-methoxyazetidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]pyridin-3-amine?
The IUPAC name of 5-[6-(3-methoxyazetidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]pyridin-3-amine (CID 171698233) is 5-[6-(3-methoxyazetidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]pyridin-3-amine.
What is the SMILES notation for 5-[6-(3-methoxyazetidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]pyridin-3-amine?
The canonical SMILES for 5-[6-(3-methoxyazetidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]pyridin-3-amine is COC1CN(c2ccc3ncc(-c4cncc(N)c4)n3n2)C1.
What is the InChIKey of 5-[6-(3-methoxyazetidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]pyridin-3-amine?
The InChIKey is VOURHGLNJJWIIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c1-22-12-8-20(9-12)15-3-2-14-18-7-13(21(14)19-15)10-4-11(16)6-17-5-10/h2-7,12H,8-9,16H2,1H3.
What are the key properties of 5-[6-(3-methoxyazetidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]pyridin-3-amine?
5-[6-(3-methoxyazetidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]pyridin-3-amine has a molecular weight of 296.33 g/mol, XLogP of 1.21, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(3-methoxyazetidin-1-yl)imidazo[1,2-b]pyridazin-3-yl]pyridin-3-amine is sourced from PubChem (CID 171698233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).