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

C22H28N4O — CID 25104179

IUPAC3-[3-[(E)-hex-1-enyl]phenyl]-N-(3-methoxypropyl)imidazo[1,2-b]pyridazin-6-amine
SMILESCCCC/C=C/c1cccc(-c2cnc3ccc(NCCCOC)nn23)c1
InChIInChI=1S/C22H28N4O/c1-3-4-5-6-9-18-10-7-11-19(16-18)20-17-24-22-13-12-21(25-26(20)22)23-14-8-15-27-2/h6-7,9-13,16-17H,3-5,8,14-15H2,1-2H3,(H,23,25)/b9-6+
InChIKeyBBUCGVBTCXYNGZ-RMKNXTFCSA-N
MW364.49 g/mol
LogP5.05
Rot. Bonds10

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

3-[3-[(E)-hex-1-enyl]phenyl]-N-(3-methoxypropyl)imidazo[1,2-b]pyridazin-6-amine (PubChem CID 25104179) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 3-[3-[(E)-hex-1-enyl]phenyl]-N-(3-methoxypropyl)imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-[3-[(E)-hex-1-enyl]phenyl]-N-(3-methoxypropyl)imidazo[1,2-b]pyridazin-6-amine
PubChem CID25104179
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name3-[3-[(E)-hex-1-enyl]phenyl]-N-(3-methoxypropyl)imidazo[1,2-b]pyridazin-6-amine
SMILESCCCC/C=C/c1cccc(-c2cnc3ccc(NCCCOC)nn23)c1
InChIInChI=1S/C22H28N4O/c1-3-4-5-6-9-18-10-7-11-19(16-18)20-17-24-22-13-12-21(25-26(20)22)23-14-8-15-27-2/h6-7,9-13,16-17H,3-5,8,14-15H2,1-2H3,(H,23,25)/b9-6+
InChIKeyBBUCGVBTCXYNGZ-RMKNXTFCSA-N
XLogP5.05
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.49
LogP ≤ 55.05
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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Related Compounds

3-hex-1-enyl-N-(3-methoxypropyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride
CID 68647937
3-[3-[6-(2-methoxyethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]prop-2-enoic acid
CID 66889633
3-[6-(2-methoxyethylamino)imidazo[1,2-b]pyridazin-3-yl]benzoic acid
CID 126471896
tert-butyl N-[3-[[3-[(E)-hex-1-enyl]imidazo[1,2-b]pyridazin-6-yl]amino]propyl]carbamate
CID 86621015
3-naphthalen-1-yl-N-pentylimidazo[1,2-b]pyridazin-6-amine
CID 90388471
3-[4-(aminomethyl)-3-fluorophenyl]-N-butylimidazo[1,2-b]pyridazin-6-amine
CID 86696356
3-(3-methoxyphenyl)-N-(2-pyridin-2-ylethyl)imidazo[1,2-b]pyridazin-6-amine
CID 58857576
3-hex-1-enyl-N-[3-(4-methylpiperazin-1-yl)propyl]imidazo[1,2-b]pyridazin-6-amine
CID 68648517
4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]phenol
CID 135923088
N-(3-propan-2-yloxypropyl)-3-pyridin-4-ylimidazo[1,2-b]pyridazin-6-amine
CID 59453652
N-(2-methoxyethyl)-3-(2-methoxyphenyl)imidazo[1,2-b]pyridazin-6-amine
CID 126471713
methyl 4-[6-(propylamino)imidazo[1,2-b]pyridazin-3-yl]benzoate
CID 126475878

Frequently Asked Questions

What is the IUPAC name of 3-[3-[(E)-hex-1-enyl]phenyl]-N-(3-methoxypropyl)imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-[3-[(E)-hex-1-enyl]phenyl]-N-(3-methoxypropyl)imidazo[1,2-b]pyridazin-6-amine (CID 25104179) is 3-[3-[(E)-hex-1-enyl]phenyl]-N-(3-methoxypropyl)imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-[3-[(E)-hex-1-enyl]phenyl]-N-(3-methoxypropyl)imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-[3-[(E)-hex-1-enyl]phenyl]-N-(3-methoxypropyl)imidazo[1,2-b]pyridazin-6-amine is CCCC/C=C/c1cccc(-c2cnc3ccc(NCCCOC)nn23)c1.
What is the InChIKey of 3-[3-[(E)-hex-1-enyl]phenyl]-N-(3-methoxypropyl)imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is BBUCGVBTCXYNGZ-RMKNXTFCSA-N. The full InChI is InChI=1S/C22H28N4O/c1-3-4-5-6-9-18-10-7-11-19(16-18)20-17-24-22-13-12-21(25-26(20)22)23-14-8-15-27-2/h6-7,9-13,16-17H,3-5,8,14-15H2,1-2H3,(H,23,25)/b9-6+.
What are the key properties of 3-[3-[(E)-hex-1-enyl]phenyl]-N-(3-methoxypropyl)imidazo[1,2-b]pyridazin-6-amine?
3-[3-[(E)-hex-1-enyl]phenyl]-N-(3-methoxypropyl)imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 364.49 g/mol, XLogP of 5.05, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(E)-hex-1-enyl]phenyl]-N-(3-methoxypropyl)imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 25104179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).