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

C16H17N3O2 — CID 11323555

IUPAC2-(3-methoxyphenyl)-6-propoxyimidazo[1,2-b]pyridazine
SMILESCCCOc1ccc2nc(-c3cccc(OC)c3)cn2n1
InChIInChI=1S/C16H17N3O2/c1-3-9-21-16-8-7-15-17-14(11-19(15)18-16)12-5-4-6-13(10-12)20-2/h4-8,10-11H,3,9H2,1-2H3
InChIKeyDKVQLILNIXFWKH-UHFFFAOYSA-N
MW283.33 g/mol
LogP3.19
Rot. Bonds5

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

2-(3-methoxyphenyl)-6-propoxyimidazo[1,2-b]pyridazine (PubChem CID 11323555) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-6-propoxyimidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-6-propoxyimidazo[1,2-b]pyridazine
PubChem CID11323555
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name2-(3-methoxyphenyl)-6-propoxyimidazo[1,2-b]pyridazine
SMILESCCCOc1ccc2nc(-c3cccc(OC)c3)cn2n1
InChIInChI=1S/C16H17N3O2/c1-3-9-21-16-8-7-15-17-14(11-19(15)18-16)12-5-4-6-13(10-12)20-2/h4-8,10-11H,3,9H2,1-2H3
InChIKeyDKVQLILNIXFWKH-UHFFFAOYSA-N
XLogP3.19
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-6-propoxyimidazo[1,2-b]pyridazine?
The IUPAC name of 2-(3-methoxyphenyl)-6-propoxyimidazo[1,2-b]pyridazine (CID 11323555) is 2-(3-methoxyphenyl)-6-propoxyimidazo[1,2-b]pyridazine.
What is the SMILES notation for 2-(3-methoxyphenyl)-6-propoxyimidazo[1,2-b]pyridazine?
The canonical SMILES for 2-(3-methoxyphenyl)-6-propoxyimidazo[1,2-b]pyridazine is CCCOc1ccc2nc(-c3cccc(OC)c3)cn2n1.
What is the InChIKey of 2-(3-methoxyphenyl)-6-propoxyimidazo[1,2-b]pyridazine?
The InChIKey is DKVQLILNIXFWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-3-9-21-16-8-7-15-17-14(11-19(15)18-16)12-5-4-6-13(10-12)20-2/h4-8,10-11H,3,9H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-6-propoxyimidazo[1,2-b]pyridazine?
2-(3-methoxyphenyl)-6-propoxyimidazo[1,2-b]pyridazine has a molecular weight of 283.33 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-6-propoxyimidazo[1,2-b]pyridazine is sourced from PubChem (CID 11323555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).