3-bromo-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine

C11H13BrN4O — CID 25103082

IUPAC3-bromo-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESBrc1cnc2ccc(NC3CCOCC3)nn12
InChIInChI=1S/C11H13BrN4O/c12-9-7-13-11-2-1-10(15-16(9)11)14-8-3-5-17-6-4-8/h1-2,7-8H,3-6H2,(H,14,15)
InChIKeyDOPWTFXGWBIPOO-UHFFFAOYSA-N
MW297.16 g/mol
LogP2.08
Rot. Bonds2

About 3-bromo-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine

3-bromo-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 25103082) has the molecular formula C11H13BrN4O and a molecular weight of 297.16 g/mol. Its IUPAC name is 3-bromo-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-bromo-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID25103082
Molecular FormulaC11H13BrN4O
Molecular Weight297.16 g/mol
Exact Mass296.03
IUPAC Name3-bromo-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESBrc1cnc2ccc(NC3CCOCC3)nn12
InChIInChI=1S/C11H13BrN4O/c12-9-7-13-11-2-1-10(15-16(9)11)14-8-3-5-17-6-4-8/h1-2,7-8H,3-6H2,(H,14,15)
InChIKeyDOPWTFXGWBIPOO-UHFFFAOYSA-N
XLogP2.08
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-bromo-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine (CID 25103082) is 3-bromo-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-bromo-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-bromo-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine is Brc1cnc2ccc(NC3CCOCC3)nn12.
What is the InChIKey of 3-bromo-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is DOPWTFXGWBIPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O/c12-9-7-13-11-2-1-10(15-16(9)11)14-8-3-5-17-6-4-8/h1-2,7-8H,3-6H2,(H,14,15).
What are the key properties of 3-bromo-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine?
3-bromo-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 297.16 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 25103082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).