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

C19H22N4O — CID 58857586

IUPAC3-(3,4-dimethylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCc1ccc(-c2cnc3ccc(NC4CCOCC4)nn23)cc1C
InChIInChI=1S/C19H22N4O/c1-13-3-4-15(11-14(13)2)17-12-20-19-6-5-18(22-23(17)19)21-16-7-9-24-10-8-16/h3-6,11-12,16H,7-10H2,1-2H3,(H,21,22)
InChIKeyVINQLCSFJYLNIB-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.60
Rot. Bonds3

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

3-(3,4-dimethylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 58857586) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-(3,4-dimethylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(3,4-dimethylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID58857586
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name3-(3,4-dimethylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCc1ccc(-c2cnc3ccc(NC4CCOCC4)nn23)cc1C
InChIInChI=1S/C19H22N4O/c1-13-3-4-15(11-14(13)2)17-12-20-19-6-5-18(22-23(17)19)21-16-7-9-24-10-8-16/h3-6,11-12,16H,7-10H2,1-2H3,(H,21,22)
InChIKeyVINQLCSFJYLNIB-UHFFFAOYSA-N
XLogP3.60
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-(3,4-dimethylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine (CID 58857586) is 3-(3,4-dimethylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-(3,4-dimethylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-(3,4-dimethylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine is Cc1ccc(-c2cnc3ccc(NC4CCOCC4)nn23)cc1C.
What is the InChIKey of 3-(3,4-dimethylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is VINQLCSFJYLNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-13-3-4-15(11-14(13)2)17-12-20-19-6-5-18(22-23(17)19)21-16-7-9-24-10-8-16/h3-6,11-12,16H,7-10H2,1-2H3,(H,21,22).
What are the key properties of 3-(3,4-dimethylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine?
3-(3,4-dimethylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 322.41 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 58857586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).