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

C20H32N6 — CID 68648517

IUPAC3-hex-1-enyl-N-[3-(4-methylpiperazin-1-yl)propyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCCCCC=Cc1cnc2ccc(NCCCN3CCN(C)CC3)nn12
InChIInChI=1S/C20H32N6/c1-3-4-5-6-8-18-17-22-20-10-9-19(23-26(18)20)21-11-7-12-25-15-13-24(2)14-16-25/h6,8-10,17H,3-5,7,11-16H2,1-2H3,(H,21,23)
InChIKeyCULWKHCMXTVQBM-UHFFFAOYSA-N
MW356.52 g/mol
LogP2.98
Rot. Bonds9

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

3-hex-1-enyl-N-[3-(4-methylpiperazin-1-yl)propyl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 68648517) has the molecular formula C20H32N6 and a molecular weight of 356.52 g/mol. Its IUPAC name is 3-hex-1-enyl-N-[3-(4-methylpiperazin-1-yl)propyl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-hex-1-enyl-N-[3-(4-methylpiperazin-1-yl)propyl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID68648517
Molecular FormulaC20H32N6
Molecular Weight356.52 g/mol
Exact Mass356.27
IUPAC Name3-hex-1-enyl-N-[3-(4-methylpiperazin-1-yl)propyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCCCCC=Cc1cnc2ccc(NCCCN3CCN(C)CC3)nn12
InChIInChI=1S/C20H32N6/c1-3-4-5-6-8-18-17-22-20-10-9-19(23-26(18)20)21-11-7-12-25-15-13-24(2)14-16-25/h6,8-10,17H,3-5,7,11-16H2,1-2H3,(H,21,23)
InChIKeyCULWKHCMXTVQBM-UHFFFAOYSA-N
XLogP2.98
TPSA48.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.52
LogP ≤ 52.98
H-Bond Donors ≤ 51
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-hex-1-enyl-N-[3-(4-methylpiperazin-1-yl)propyl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 3-hex-1-enyl-N-[3-(4-methylpiperazin-1-yl)propyl]imidazo[1,2-b]pyridazin-6-amine (CID 68648517) is 3-hex-1-enyl-N-[3-(4-methylpiperazin-1-yl)propyl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 3-hex-1-enyl-N-[3-(4-methylpiperazin-1-yl)propyl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 3-hex-1-enyl-N-[3-(4-methylpiperazin-1-yl)propyl]imidazo[1,2-b]pyridazin-6-amine is CCCCC=Cc1cnc2ccc(NCCCN3CCN(C)CC3)nn12.
What is the InChIKey of 3-hex-1-enyl-N-[3-(4-methylpiperazin-1-yl)propyl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is CULWKHCMXTVQBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N6/c1-3-4-5-6-8-18-17-22-20-10-9-19(23-26(18)20)21-11-7-12-25-15-13-24(2)14-16-25/h6,8-10,17H,3-5,7,11-16H2,1-2H3,(H,21,23).
What are the key properties of 3-hex-1-enyl-N-[3-(4-methylpiperazin-1-yl)propyl]imidazo[1,2-b]pyridazin-6-amine?
3-hex-1-enyl-N-[3-(4-methylpiperazin-1-yl)propyl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 356.52 g/mol, XLogP of 2.98, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hex-1-enyl-N-[3-(4-methylpiperazin-1-yl)propyl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 68648517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).