2-(1,3-benzodioxol-5-yl)-6-propoxyimidazo[1,2-b]pyridazine

C16H15N3O3 — CID 10542018

IUPAC2-(1,3-benzodioxol-5-yl)-6-propoxyimidazo[1,2-b]pyridazine
SMILESCCCOc1ccc2nc(-c3ccc4c(c3)OCO4)cn2n1
InChIInChI=1S/C16H15N3O3/c1-2-7-20-16-6-5-15-17-12(9-19(15)18-16)11-3-4-13-14(8-11)22-10-21-13/h3-6,8-9H,2,7,10H2,1H3
InChIKeyXGKGLOKHXCXVPZ-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.91
Rot. Bonds4

About 2-(1,3-benzodioxol-5-yl)-6-propoxyimidazo[1,2-b]pyridazine

2-(1,3-benzodioxol-5-yl)-6-propoxyimidazo[1,2-b]pyridazine (PubChem CID 10542018) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-6-propoxyimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-6-propoxyimidazo[1,2-b]pyridazine
PubChem CID10542018
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name2-(1,3-benzodioxol-5-yl)-6-propoxyimidazo[1,2-b]pyridazine
SMILESCCCOc1ccc2nc(-c3ccc4c(c3)OCO4)cn2n1
InChIInChI=1S/C16H15N3O3/c1-2-7-20-16-6-5-15-17-12(9-19(15)18-16)11-3-4-13-14(8-11)22-10-21-13/h3-6,8-9H,2,7,10H2,1H3
InChIKeyXGKGLOKHXCXVPZ-UHFFFAOYSA-N
XLogP2.91
TPSA57.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-6-propoxyimidazo[1,2-b]pyridazine?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-6-propoxyimidazo[1,2-b]pyridazine (CID 10542018) is 2-(1,3-benzodioxol-5-yl)-6-propoxyimidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-6-propoxyimidazo[1,2-b]pyridazine?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-6-propoxyimidazo[1,2-b]pyridazine is CCCOc1ccc2nc(-c3ccc4c(c3)OCO4)cn2n1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-6-propoxyimidazo[1,2-b]pyridazine?
The InChIKey is XGKGLOKHXCXVPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-2-7-20-16-6-5-15-17-12(9-19(15)18-16)11-3-4-13-14(8-11)22-10-21-13/h3-6,8-9H,2,7,10H2,1H3.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-6-propoxyimidazo[1,2-b]pyridazine?
2-(1,3-benzodioxol-5-yl)-6-propoxyimidazo[1,2-b]pyridazine has a molecular weight of 297.31 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-6-propoxyimidazo[1,2-b]pyridazine is sourced from PubChem (CID 10542018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).