3-ethyl-2-[(1E,5Z)-nona-1,5-dienyl]-6-propoxyimidazo[1,2-b]pyridazine

C20H29N3O — CID 143077914

IUPAC3-ethyl-2-[(1E,5Z)-nona-1,5-dienyl]-6-propoxyimidazo[1,2-b]pyridazine
SMILESCCC/C=C\CC/C=C/c1nc2ccc(OCCC)nn2c1CC
InChIInChI=1S/C20H29N3O/c1-4-7-8-9-10-11-12-13-17-18(6-3)23-19(21-17)14-15-20(22-23)24-16-5-2/h8-9,12-15H,4-7,10-11,16H2,1-3H3/b9-8-,13-12+
InChIKeyXZZBZHJKWQQMLH-YILALFFRSA-N
MW327.47 g/mol
LogP5.23
Rot. Bonds10

About 3-ethyl-2-[(1E,5Z)-nona-1,5-dienyl]-6-propoxyimidazo[1,2-b]pyridazine

3-ethyl-2-[(1E,5Z)-nona-1,5-dienyl]-6-propoxyimidazo[1,2-b]pyridazine (PubChem CID 143077914) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is 3-ethyl-2-[(1E,5Z)-nona-1,5-dienyl]-6-propoxyimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-ethyl-2-[(1E,5Z)-nona-1,5-dienyl]-6-propoxyimidazo[1,2-b]pyridazine
PubChem CID143077914
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name3-ethyl-2-[(1E,5Z)-nona-1,5-dienyl]-6-propoxyimidazo[1,2-b]pyridazine
SMILESCCC/C=C\CC/C=C/c1nc2ccc(OCCC)nn2c1CC
InChIInChI=1S/C20H29N3O/c1-4-7-8-9-10-11-12-13-17-18(6-3)23-19(21-17)14-15-20(22-23)24-16-5-2/h8-9,12-15H,4-7,10-11,16H2,1-3H3/b9-8-,13-12+
InChIKeyXZZBZHJKWQQMLH-YILALFFRSA-N
XLogP5.23
TPSA39.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500327.47
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[(1E,5Z)-nona-1,5-dienyl]-6-propoxyimidazo[1,2-b]pyridazine?
The IUPAC name of 3-ethyl-2-[(1E,5Z)-nona-1,5-dienyl]-6-propoxyimidazo[1,2-b]pyridazine (CID 143077914) is 3-ethyl-2-[(1E,5Z)-nona-1,5-dienyl]-6-propoxyimidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-ethyl-2-[(1E,5Z)-nona-1,5-dienyl]-6-propoxyimidazo[1,2-b]pyridazine?
The canonical SMILES for 3-ethyl-2-[(1E,5Z)-nona-1,5-dienyl]-6-propoxyimidazo[1,2-b]pyridazine is CCC/C=C\CC/C=C/c1nc2ccc(OCCC)nn2c1CC.
What is the InChIKey of 3-ethyl-2-[(1E,5Z)-nona-1,5-dienyl]-6-propoxyimidazo[1,2-b]pyridazine?
The InChIKey is XZZBZHJKWQQMLH-YILALFFRSA-N. The full InChI is InChI=1S/C20H29N3O/c1-4-7-8-9-10-11-12-13-17-18(6-3)23-19(21-17)14-15-20(22-23)24-16-5-2/h8-9,12-15H,4-7,10-11,16H2,1-3H3/b9-8-,13-12+.
What are the key properties of 3-ethyl-2-[(1E,5Z)-nona-1,5-dienyl]-6-propoxyimidazo[1,2-b]pyridazine?
3-ethyl-2-[(1E,5Z)-nona-1,5-dienyl]-6-propoxyimidazo[1,2-b]pyridazine has a molecular weight of 327.47 g/mol, XLogP of 5.23, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[(1E,5Z)-nona-1,5-dienyl]-6-propoxyimidazo[1,2-b]pyridazine is sourced from PubChem (CID 143077914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).