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

C16H15N3O4 — CID 11771382

IUPAC2-(1,3-benzodioxol-5-yl)-6-(2-methoxyethoxy)imidazo[1,2-b]pyridazine
SMILESCOCCOc1ccc2nc(-c3ccc4c(c3)OCO4)cn2n1
InChIInChI=1S/C16H15N3O4/c1-20-6-7-21-16-5-4-15-17-12(9-19(15)18-16)11-2-3-13-14(8-11)23-10-22-13/h2-5,8-9H,6-7,10H2,1H3
InChIKeyJLNSQOKDKQYIJI-UHFFFAOYSA-N
MW313.31 g/mol
LogP2.15
Rot. Bonds5

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

2-(1,3-benzodioxol-5-yl)-6-(2-methoxyethoxy)imidazo[1,2-b]pyridazine (PubChem CID 11771382) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 2-(1,3-benzodioxol-5-yl)-6-(2-methoxyethoxy)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-(1,3-benzodioxol-5-yl)-6-(2-methoxyethoxy)imidazo[1,2-b]pyridazine
PubChem CID11771382
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name2-(1,3-benzodioxol-5-yl)-6-(2-methoxyethoxy)imidazo[1,2-b]pyridazine
SMILESCOCCOc1ccc2nc(-c3ccc4c(c3)OCO4)cn2n1
InChIInChI=1S/C16H15N3O4/c1-20-6-7-21-16-5-4-15-17-12(9-19(15)18-16)11-2-3-13-14(8-11)23-10-22-13/h2-5,8-9H,6-7,10H2,1H3
InChIKeyJLNSQOKDKQYIJI-UHFFFAOYSA-N
XLogP2.15
TPSA67.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(1,3-benzodioxol-5-yl)-6-chloroimidazo[1,2-b]pyridazine
CID 15749997
2-(1,3-benzodioxol-5-yl)-6-(2-methoxyphenyl)sulfanylimidazo[1,2-b]pyridazine
CID 10762137
N-(1,3-benzodioxol-5-yl)-2-[2-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]sulfanylacetamide
CID 22581675
6-(1,3-benzodioxol-5-yl)imidazo[2,1-b][1,3,4]thiadiazole
CID 107646923
1-(benzenesulfonyl)-5-(1,3-benzodioxol-5-yl)-3-(2-methoxyethoxy)-1,2,4-triazole
CID 42730160
6-[5-(1,3-benzodioxol-5-yl)-1H-1,2,4-triazol-3-yl]-2-methylpyrazolo[1,5-a]pyrimidine
CID 167805697
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-diethylimidazo[1,2-b][1,2,4]triazine
CID 95833368
4-(1,3-benzodioxol-5-yl)-2-methoxypyrimidine
CID 116903746
5-(1,3-benzodioxol-5-yl)-1-(4-bromophenyl)sulfonyl-3-(2-methoxyethoxy)-1,2,4-triazole
CID 42730159
2-(1,3-benzodioxol-5-yl)imidazo[1,2-a]pyrazine
CID 113428335
5-(1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)-3H-imidazo[4,5-b]pyrazin-2-one
CID 126469343
6-ethoxy-2-[3-pyridin-2-yl-4-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine
CID 57407282

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzodioxol-5-yl)-6-(2-methoxyethoxy)imidazo[1,2-b]pyridazine?
The IUPAC name of 2-(1,3-benzodioxol-5-yl)-6-(2-methoxyethoxy)imidazo[1,2-b]pyridazine (CID 11771382) is 2-(1,3-benzodioxol-5-yl)-6-(2-methoxyethoxy)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-(1,3-benzodioxol-5-yl)-6-(2-methoxyethoxy)imidazo[1,2-b]pyridazine?
The canonical SMILES for 2-(1,3-benzodioxol-5-yl)-6-(2-methoxyethoxy)imidazo[1,2-b]pyridazine is COCCOc1ccc2nc(-c3ccc4c(c3)OCO4)cn2n1.
What is the InChIKey of 2-(1,3-benzodioxol-5-yl)-6-(2-methoxyethoxy)imidazo[1,2-b]pyridazine?
The InChIKey is JLNSQOKDKQYIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-20-6-7-21-16-5-4-15-17-12(9-19(15)18-16)11-2-3-13-14(8-11)23-10-22-13/h2-5,8-9H,6-7,10H2,1H3.
What are the key properties of 2-(1,3-benzodioxol-5-yl)-6-(2-methoxyethoxy)imidazo[1,2-b]pyridazine?
2-(1,3-benzodioxol-5-yl)-6-(2-methoxyethoxy)imidazo[1,2-b]pyridazine has a molecular weight of 313.31 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzodioxol-5-yl)-6-(2-methoxyethoxy)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 11771382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).