3-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol

C17H20N4O3 — CID 25104051

IUPAC3-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol
SMILESCOc1ccc(-c2cnc3ccc(NCCCO)nn23)cc1OC
InChIInChI=1S/C17H20N4O3/c1-23-14-5-4-12(10-15(14)24-2)13-11-19-17-7-6-16(20-21(13)17)18-8-3-9-22/h4-7,10-11,22H,3,8-9H2,1-2H3,(H,18,20)
InChIKeyZCSKKCCORPSIBO-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.21
Rot. Bonds7

About 3-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol

3-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol (PubChem CID 25104051) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 3-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol
PubChem CID25104051
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name3-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol
SMILESCOc1ccc(-c2cnc3ccc(NCCCO)nn23)cc1OC
InChIInChI=1S/C17H20N4O3/c1-23-14-5-4-12(10-15(14)24-2)13-11-19-17-7-6-16(20-21(13)17)18-8-3-9-22/h4-7,10-11,22H,3,8-9H2,1-2H3,(H,18,20)
InChIKeyZCSKKCCORPSIBO-UHFFFAOYSA-N
XLogP2.21
TPSA80.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol?
The IUPAC name of 3-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol (CID 25104051) is 3-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol is COc1ccc(-c2cnc3ccc(NCCCO)nn23)cc1OC.
What is the InChIKey of 3-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol?
The InChIKey is ZCSKKCCORPSIBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-23-14-5-4-12(10-15(14)24-2)13-11-19-17-7-6-16(20-21(13)17)18-8-3-9-22/h4-7,10-11,22H,3,8-9H2,1-2H3,(H,18,20).
What are the key properties of 3-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol?
3-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol has a molecular weight of 328.37 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(3,4-dimethoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol is sourced from PubChem (CID 25104051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).