2-[[3-[(E)-hex-1-enyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol

C16H24N4O — CID 59519594

IUPAC2-[[3-[(E)-hex-1-enyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
SMILESCCCC/C=C/c1cnc2ccc(NC(CC)CO)nn12
InChIInChI=1S/C16H24N4O/c1-3-5-6-7-8-14-11-17-16-10-9-15(19-20(14)16)18-13(4-2)12-21/h7-11,13,21H,3-6,12H2,1-2H3,(H,18,19)/b8-7+
InChIKeyAGOJOUHRGITLIB-BQYQJAHWSA-N
MW288.39 g/mol
LogP3.12
Rot. Bonds8

About 2-[[3-[(E)-hex-1-enyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol

2-[[3-[(E)-hex-1-enyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol (PubChem CID 59519594) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 2-[[3-[(E)-hex-1-enyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol.

Molecular Properties

Compound Name2-[[3-[(E)-hex-1-enyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
PubChem CID59519594
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name2-[[3-[(E)-hex-1-enyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol
SMILESCCCC/C=C/c1cnc2ccc(NC(CC)CO)nn12
InChIInChI=1S/C16H24N4O/c1-3-5-6-7-8-14-11-17-16-10-9-15(19-20(14)16)18-13(4-2)12-21/h7-11,13,21H,3-6,12H2,1-2H3,(H,18,19)/b8-7+
InChIKeyAGOJOUHRGITLIB-BQYQJAHWSA-N
XLogP3.12
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 2-[[3-[(E)-hex-1-enyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol?
The IUPAC name of 2-[[3-[(E)-hex-1-enyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol (CID 59519594) is 2-[[3-[(E)-hex-1-enyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol.
What is the SMILES notation for 2-[[3-[(E)-hex-1-enyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol?
The canonical SMILES for 2-[[3-[(E)-hex-1-enyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol is CCCC/C=C/c1cnc2ccc(NC(CC)CO)nn12.
What is the InChIKey of 2-[[3-[(E)-hex-1-enyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol?
The InChIKey is AGOJOUHRGITLIB-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H24N4O/c1-3-5-6-7-8-14-11-17-16-10-9-15(19-20(14)16)18-13(4-2)12-21/h7-11,13,21H,3-6,12H2,1-2H3,(H,18,19)/b8-7+.
What are the key properties of 2-[[3-[(E)-hex-1-enyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol?
2-[[3-[(E)-hex-1-enyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol has a molecular weight of 288.39 g/mol, XLogP of 3.12, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[(E)-hex-1-enyl]imidazo[1,2-b]pyridazin-6-yl]amino]butan-1-ol is sourced from PubChem (CID 59519594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).