2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propoxyimidazo[1,2-b]pyridazine

C17H17N3O3 — CID 11162709

IUPAC2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propoxyimidazo[1,2-b]pyridazine
SMILESCCCOc1ccc2nc(-c3ccc4c(c3)OCCO4)cn2n1
InChIInChI=1S/C17H17N3O3/c1-2-7-23-17-6-5-16-18-13(11-20(16)19-17)12-3-4-14-15(10-12)22-9-8-21-14/h3-6,10-11H,2,7-9H2,1H3
InChIKeyPPUHKYCCPAIQID-UHFFFAOYSA-N
MW311.34 g/mol
LogP2.96
Rot. Bonds4

About 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propoxyimidazo[1,2-b]pyridazine

2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propoxyimidazo[1,2-b]pyridazine (PubChem CID 11162709) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propoxyimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propoxyimidazo[1,2-b]pyridazine
PubChem CID11162709
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propoxyimidazo[1,2-b]pyridazine
SMILESCCCOc1ccc2nc(-c3ccc4c(c3)OCCO4)cn2n1
InChIInChI=1S/C17H17N3O3/c1-2-7-23-17-6-5-16-18-13(11-20(16)19-17)12-3-4-14-15(10-12)22-9-8-21-14/h3-6,10-11H,2,7-9H2,1H3
InChIKeyPPUHKYCCPAIQID-UHFFFAOYSA-N
XLogP2.96
TPSA57.88 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propoxyimidazo[1,2-b]pyridazine?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propoxyimidazo[1,2-b]pyridazine (CID 11162709) is 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propoxyimidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propoxyimidazo[1,2-b]pyridazine?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propoxyimidazo[1,2-b]pyridazine is CCCOc1ccc2nc(-c3ccc4c(c3)OCCO4)cn2n1.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propoxyimidazo[1,2-b]pyridazine?
The InChIKey is PPUHKYCCPAIQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-2-7-23-17-6-5-16-18-13(11-20(16)19-17)12-3-4-14-15(10-12)22-9-8-21-14/h3-6,10-11H,2,7-9H2,1H3.
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propoxyimidazo[1,2-b]pyridazine?
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propoxyimidazo[1,2-b]pyridazine has a molecular weight of 311.34 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-propoxyimidazo[1,2-b]pyridazine is sourced from PubChem (CID 11162709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).