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

C16H18N4O2 — CID 58857887

IUPAC3-[[3-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol
SMILESCOc1ccc(-c2cnc3ccc(NCCCO)nn23)cc1
InChIInChI=1S/C16H18N4O2/c1-22-13-5-3-12(4-6-13)14-11-18-16-8-7-15(19-20(14)16)17-9-2-10-21/h3-8,11,21H,2,9-10H2,1H3,(H,17,19)
InChIKeySFIKFYVVFANNGV-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.20
Rot. Bonds6

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

3-[[3-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol (PubChem CID 58857887) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-[[3-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol.

Molecular Properties

Compound Name3-[[3-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol
PubChem CID58857887
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name3-[[3-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol
SMILESCOc1ccc(-c2cnc3ccc(NCCCO)nn23)cc1
InChIInChI=1S/C16H18N4O2/c1-22-13-5-3-12(4-6-13)14-11-18-16-8-7-15(19-20(14)16)17-9-2-10-21/h3-8,11,21H,2,9-10H2,1H3,(H,17,19)
InChIKeySFIKFYVVFANNGV-UHFFFAOYSA-N
XLogP2.20
TPSA71.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol?
The IUPAC name of 3-[[3-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol (CID 58857887) is 3-[[3-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol.
What is the SMILES notation for 3-[[3-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol?
The canonical SMILES for 3-[[3-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol is COc1ccc(-c2cnc3ccc(NCCCO)nn23)cc1.
What is the InChIKey of 3-[[3-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol?
The InChIKey is SFIKFYVVFANNGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-22-13-5-3-12(4-6-13)14-11-18-16-8-7-15(19-20(14)16)17-9-2-10-21/h3-8,11,21H,2,9-10H2,1H3,(H,17,19).
What are the key properties of 3-[[3-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol?
3-[[3-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol has a molecular weight of 298.35 g/mol, XLogP of 2.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-methoxyphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]propan-1-ol is sourced from PubChem (CID 58857887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).