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

C17H17ClN4O — CID 6419810

IUPAC3-(4-chlorophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESClc1ccc(-c2cnc3ccc(NC4CCOCC4)nn23)cc1
InChIInChI=1S/C17H17ClN4O/c18-13-3-1-12(2-4-13)15-11-19-17-6-5-16(21-22(15)17)20-14-7-9-23-10-8-14/h1-6,11,14H,7-10H2,(H,20,21)
InChIKeyPJPADMCOSXJIKA-UHFFFAOYSA-N
MW328.80 g/mol
LogP3.64
Rot. Bonds3

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

3-(4-chlorophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 6419810) has the molecular formula C17H17ClN4O and a molecular weight of 328.80 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID6419810
Molecular FormulaC17H17ClN4O
Molecular Weight328.80 g/mol
Exact Mass328.11
IUPAC Name3-(4-chlorophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESClc1ccc(-c2cnc3ccc(NC4CCOCC4)nn23)cc1
InChIInChI=1S/C17H17ClN4O/c18-13-3-1-12(2-4-13)15-11-19-17-6-5-16(21-22(15)17)20-14-7-9-23-10-8-14/h1-6,11,14H,7-10H2,(H,20,21)
InChIKeyPJPADMCOSXJIKA-UHFFFAOYSA-N
XLogP3.64
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.80
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 6419807
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CID 6419820
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CID 46937115
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CID 3266722
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CID 3804160
CID 3804160
CID 4205241
CID 4205241
CID 1835852
CID 1835852
CID 665379
CID 665379
CID 666093
CID 666093
CID 4886402
CID 4886402
CID 9932616
CID 9932616
CID 11440253
CID 11440253

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-(4-chlorophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine (CID 6419810) is 3-(4-chlorophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-(4-chlorophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine is Clc1ccc(-c2cnc3ccc(NC4CCOCC4)nn23)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is PJPADMCOSXJIKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN4O/c18-13-3-1-12(2-4-13)15-11-19-17-6-5-16(21-22(15)17)20-14-7-9-23-10-8-14/h1-6,11,14H,7-10H2,(H,20,21).
What are the key properties of 3-(4-chlorophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine?
3-(4-chlorophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 328.80 g/mol, XLogP of 3.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 6419810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).