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

C17H17BrN4O — CID 25104181

IUPAC3-(3-bromophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESBrc1cccc(-c2cnc3ccc(NC4CCOCC4)nn23)c1
InChIInChI=1S/C17H17BrN4O/c18-13-3-1-2-12(10-13)15-11-19-17-5-4-16(21-22(15)17)20-14-6-8-23-9-7-14/h1-5,10-11,14H,6-9H2,(H,20,21)
InChIKeyUUAFYGWPFDIGGG-UHFFFAOYSA-N
MW373.25 g/mol
LogP3.75
Rot. Bonds3

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

3-(3-bromophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 25104181) has the molecular formula C17H17BrN4O and a molecular weight of 373.25 g/mol. Its IUPAC name is 3-(3-bromophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(3-bromophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID25104181
Molecular FormulaC17H17BrN4O
Molecular Weight373.25 g/mol
Exact Mass372.06
IUPAC Name3-(3-bromophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESBrc1cccc(-c2cnc3ccc(NC4CCOCC4)nn23)c1
InChIInChI=1S/C17H17BrN4O/c18-13-3-1-2-12(10-13)15-11-19-17-5-4-16(21-22(15)17)20-14-6-8-23-9-7-14/h1-5,10-11,14H,6-9H2,(H,20,21)
InChIKeyUUAFYGWPFDIGGG-UHFFFAOYSA-N
XLogP3.75
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.25
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-bromophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-(3-bromophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine (CID 25104181) is 3-(3-bromophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-(3-bromophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-(3-bromophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine is Brc1cccc(-c2cnc3ccc(NC4CCOCC4)nn23)c1.
What is the InChIKey of 3-(3-bromophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is UUAFYGWPFDIGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN4O/c18-13-3-1-2-12(10-13)15-11-19-17-5-4-16(21-22(15)17)20-14-6-8-23-9-7-14/h1-5,10-11,14H,6-9H2,(H,20,21).
What are the key properties of 3-(3-bromophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine?
3-(3-bromophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 373.25 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-bromophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 25104181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).