3-(3,4-dimethoxyphenyl)-N-propylimidazo[1,2-b]pyridazin-6-amine

C17H20N4O2 — CID 58857652

IUPAC3-(3,4-dimethoxyphenyl)-N-propylimidazo[1,2-b]pyridazin-6-amine
SMILESCCCNc1ccc2ncc(-c3ccc(OC)c(OC)c3)n2n1
InChIInChI=1S/C17H20N4O2/c1-4-9-18-16-7-8-17-19-11-13(21(17)20-16)12-5-6-14(22-2)15(10-12)23-3/h5-8,10-11H,4,9H2,1-3H3,(H,18,20)
InChIKeyILZNHZLGQSARHH-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.24
Rot. Bonds6

About 3-(3,4-dimethoxyphenyl)-N-propylimidazo[1,2-b]pyridazin-6-amine

3-(3,4-dimethoxyphenyl)-N-propylimidazo[1,2-b]pyridazin-6-amine (PubChem CID 58857652) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 3-(3,4-dimethoxyphenyl)-N-propylimidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-(3,4-dimethoxyphenyl)-N-propylimidazo[1,2-b]pyridazin-6-amine
PubChem CID58857652
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name3-(3,4-dimethoxyphenyl)-N-propylimidazo[1,2-b]pyridazin-6-amine
SMILESCCCNc1ccc2ncc(-c3ccc(OC)c(OC)c3)n2n1
InChIInChI=1S/C17H20N4O2/c1-4-9-18-16-7-8-17-19-11-13(21(17)20-16)12-5-6-14(22-2)15(10-12)23-3/h5-8,10-11H,4,9H2,1-3H3,(H,18,20)
InChIKeyILZNHZLGQSARHH-UHFFFAOYSA-N
XLogP3.24
TPSA60.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethoxyphenyl)-N-propylimidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-(3,4-dimethoxyphenyl)-N-propylimidazo[1,2-b]pyridazin-6-amine (CID 58857652) is 3-(3,4-dimethoxyphenyl)-N-propylimidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-(3,4-dimethoxyphenyl)-N-propylimidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-(3,4-dimethoxyphenyl)-N-propylimidazo[1,2-b]pyridazin-6-amine is CCCNc1ccc2ncc(-c3ccc(OC)c(OC)c3)n2n1.
What is the InChIKey of 3-(3,4-dimethoxyphenyl)-N-propylimidazo[1,2-b]pyridazin-6-amine?
The InChIKey is ILZNHZLGQSARHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-4-9-18-16-7-8-17-19-11-13(21(17)20-16)12-5-6-14(22-2)15(10-12)23-3/h5-8,10-11H,4,9H2,1-3H3,(H,18,20).
What are the key properties of 3-(3,4-dimethoxyphenyl)-N-propylimidazo[1,2-b]pyridazin-6-amine?
3-(3,4-dimethoxyphenyl)-N-propylimidazo[1,2-b]pyridazin-6-amine has a molecular weight of 312.37 g/mol, XLogP of 3.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethoxyphenyl)-N-propylimidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 58857652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).