3-[(E)-hex-1-enyl]-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine

C17H24N4O — CID 66888405

IUPAC3-[(E)-hex-1-enyl]-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCCCC/C=C/c1cnc2ccc(NC3CCOCC3)nn12
InChIInChI=1S/C17H24N4O/c1-2-3-4-5-6-15-13-18-17-8-7-16(20-21(15)17)19-14-9-11-22-12-10-14/h5-8,13-14H,2-4,9-12H2,1H3,(H,19,20)/b6-5+
InChIKeyCAUARNPZYXSRHL-AATRIKPKSA-N
MW300.41 g/mol
LogP3.52
Rot. Bonds6

About 3-[(E)-hex-1-enyl]-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine

3-[(E)-hex-1-enyl]-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 66888405) has the molecular formula C17H24N4O and a molecular weight of 300.41 g/mol. Its IUPAC name is 3-[(E)-hex-1-enyl]-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-[(E)-hex-1-enyl]-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID66888405
Molecular FormulaC17H24N4O
Molecular Weight300.41 g/mol
Exact Mass300.20
IUPAC Name3-[(E)-hex-1-enyl]-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine
SMILESCCCC/C=C/c1cnc2ccc(NC3CCOCC3)nn12
InChIInChI=1S/C17H24N4O/c1-2-3-4-5-6-15-13-18-17-8-7-16(20-21(15)17)19-14-9-11-22-12-10-14/h5-8,13-14H,2-4,9-12H2,1H3,(H,19,20)/b6-5+
InChIKeyCAUARNPZYXSRHL-AATRIKPKSA-N
XLogP3.52
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.41
LogP ≤ 53.52
H-Bond Donors ≤ 51
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 3-[(E)-hex-1-enyl]-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-[(E)-hex-1-enyl]-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine (CID 66888405) is 3-[(E)-hex-1-enyl]-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-[(E)-hex-1-enyl]-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-[(E)-hex-1-enyl]-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine is CCCC/C=C/c1cnc2ccc(NC3CCOCC3)nn12.
What is the InChIKey of 3-[(E)-hex-1-enyl]-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is CAUARNPZYXSRHL-AATRIKPKSA-N. The full InChI is InChI=1S/C17H24N4O/c1-2-3-4-5-6-15-13-18-17-8-7-16(20-21(15)17)19-14-9-11-22-12-10-14/h5-8,13-14H,2-4,9-12H2,1H3,(H,19,20)/b6-5+.
What are the key properties of 3-[(E)-hex-1-enyl]-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine?
3-[(E)-hex-1-enyl]-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 300.41 g/mol, XLogP of 3.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-hex-1-enyl]-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 66888405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).