2-(3,4-dimethoxyphenyl)-6-propoxyimidazo[1,2-b]pyridazine

C17H19N3O3 — CID 11266987

IUPAC2-(3,4-dimethoxyphenyl)-6-propoxyimidazo[1,2-b]pyridazine
SMILESCCCOc1ccc2nc(-c3ccc(OC)c(OC)c3)cn2n1
InChIInChI=1S/C17H19N3O3/c1-4-9-23-17-8-7-16-18-13(11-20(16)19-17)12-5-6-14(21-2)15(10-12)22-3/h5-8,10-11H,4,9H2,1-3H3
InChIKeyAHRJZDJBEOTSKE-UHFFFAOYSA-N
MW313.36 g/mol
LogP3.20
Rot. Bonds6

About 2-(3,4-dimethoxyphenyl)-6-propoxyimidazo[1,2-b]pyridazine

2-(3,4-dimethoxyphenyl)-6-propoxyimidazo[1,2-b]pyridazine (PubChem CID 11266987) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-6-propoxyimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-6-propoxyimidazo[1,2-b]pyridazine
PubChem CID11266987
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Name2-(3,4-dimethoxyphenyl)-6-propoxyimidazo[1,2-b]pyridazine
SMILESCCCOc1ccc2nc(-c3ccc(OC)c(OC)c3)cn2n1
InChIInChI=1S/C17H19N3O3/c1-4-9-23-17-8-7-16-18-13(11-20(16)19-17)12-5-6-14(21-2)15(10-12)22-3/h5-8,10-11H,4,9H2,1-3H3
InChIKeyAHRJZDJBEOTSKE-UHFFFAOYSA-N
XLogP3.20
TPSA57.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-6-propoxyimidazo[1,2-b]pyridazine?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-6-propoxyimidazo[1,2-b]pyridazine (CID 11266987) is 2-(3,4-dimethoxyphenyl)-6-propoxyimidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-6-propoxyimidazo[1,2-b]pyridazine?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-6-propoxyimidazo[1,2-b]pyridazine is CCCOc1ccc2nc(-c3ccc(OC)c(OC)c3)cn2n1.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-6-propoxyimidazo[1,2-b]pyridazine?
The InChIKey is AHRJZDJBEOTSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-4-9-23-17-8-7-16-18-13(11-20(16)19-17)12-5-6-14(21-2)15(10-12)22-3/h5-8,10-11H,4,9H2,1-3H3.
What are the key properties of 2-(3,4-dimethoxyphenyl)-6-propoxyimidazo[1,2-b]pyridazine?
2-(3,4-dimethoxyphenyl)-6-propoxyimidazo[1,2-b]pyridazine has a molecular weight of 313.36 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-6-propoxyimidazo[1,2-b]pyridazine is sourced from PubChem (CID 11266987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).