3-hex-1-enyl-N-(3-methoxypropyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride

C16H25ClN4O — CID 68647937

IUPAC3-hex-1-enyl-N-(3-methoxypropyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride
SMILESCCCCC=Cc1cnc2ccc(NCCCOC)nn12.Cl
InChIInChI=1S/C16H24N4O.ClH/c1-3-4-5-6-8-14-13-18-16-10-9-15(19-20(14)16)17-11-7-12-21-2;/h6,8-10,13H,3-5,7,11-12H2,1-2H3,(H,17,19);1H
InChIKeyOFJQMAXAKSCZPU-UHFFFAOYSA-N
MW324.86 g/mol
LogP3.80
Rot. Bonds9

About 3-hex-1-enyl-N-(3-methoxypropyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride

3-hex-1-enyl-N-(3-methoxypropyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride (PubChem CID 68647937) has the molecular formula C16H25ClN4O and a molecular weight of 324.86 g/mol. Its IUPAC name is 3-hex-1-enyl-N-(3-methoxypropyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride.

Molecular Properties

Compound Name3-hex-1-enyl-N-(3-methoxypropyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride
PubChem CID68647937
Molecular FormulaC16H25ClN4O
Molecular Weight324.86 g/mol
Exact Mass324.17
IUPAC Name3-hex-1-enyl-N-(3-methoxypropyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride
SMILESCCCCC=Cc1cnc2ccc(NCCCOC)nn12.Cl
InChIInChI=1S/C16H24N4O.ClH/c1-3-4-5-6-8-14-13-18-16-10-9-15(19-20(14)16)17-11-7-12-21-2;/h6,8-10,13H,3-5,7,11-12H2,1-2H3,(H,17,19);1H
InChIKeyOFJQMAXAKSCZPU-UHFFFAOYSA-N
XLogP3.80
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.86
LogP ≤ 53.80
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-hex-1-enyl-N-(3-methoxypropyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride?
The IUPAC name of 3-hex-1-enyl-N-(3-methoxypropyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride (CID 68647937) is 3-hex-1-enyl-N-(3-methoxypropyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride.
What is the SMILES notation for 3-hex-1-enyl-N-(3-methoxypropyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride?
The canonical SMILES for 3-hex-1-enyl-N-(3-methoxypropyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride is CCCCC=Cc1cnc2ccc(NCCCOC)nn12.Cl.
What is the InChIKey of 3-hex-1-enyl-N-(3-methoxypropyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride?
The InChIKey is OFJQMAXAKSCZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O.ClH/c1-3-4-5-6-8-14-13-18-16-10-9-15(19-20(14)16)17-11-7-12-21-2;/h6,8-10,13H,3-5,7,11-12H2,1-2H3,(H,17,19);1H.
What are the key properties of 3-hex-1-enyl-N-(3-methoxypropyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride?
3-hex-1-enyl-N-(3-methoxypropyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride has a molecular weight of 324.86 g/mol, XLogP of 3.80, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hex-1-enyl-N-(3-methoxypropyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride is sourced from PubChem (CID 68647937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).