3-[(E)-pent-1-enyl]-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride

C17H20ClN5 — CID 68648391

IUPAC3-[(E)-pent-1-enyl]-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride
SMILESCCC/C=C/c1cnc2ccc(NCc3ccccn3)nn12.Cl
InChIInChI=1S/C17H19N5.ClH/c1-2-3-4-8-15-13-20-17-10-9-16(21-22(15)17)19-12-14-7-5-6-11-18-14;/h4-11,13H,2-3,12H2,1H3,(H,19,21);1H/b8-4+;
InChIKeySAMGNMRXGPIYRG-ZFXMFRGYSA-N
MW329.84 g/mol
LogP3.97
Rot. Bonds6

About 3-[(E)-pent-1-enyl]-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride

3-[(E)-pent-1-enyl]-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride (PubChem CID 68648391) has the molecular formula C17H20ClN5 and a molecular weight of 329.84 g/mol. Its IUPAC name is 3-[(E)-pent-1-enyl]-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride.

Molecular Properties

Compound Name3-[(E)-pent-1-enyl]-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride
PubChem CID68648391
Molecular FormulaC17H20ClN5
Molecular Weight329.84 g/mol
Exact Mass329.14
IUPAC Name3-[(E)-pent-1-enyl]-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride
SMILESCCC/C=C/c1cnc2ccc(NCc3ccccn3)nn12.Cl
InChIInChI=1S/C17H19N5.ClH/c1-2-3-4-8-15-13-20-17-10-9-16(21-22(15)17)19-12-14-7-5-6-11-18-14;/h4-11,13H,2-3,12H2,1H3,(H,19,21);1H/b8-4+;
InChIKeySAMGNMRXGPIYRG-ZFXMFRGYSA-N
XLogP3.97
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.84
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(E)-pent-1-enyl]-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-butyl-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 70841616
3-[(E)-hex-1-enyl]-N-(pyridin-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 59519549
3-(4-methylphenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 143711795
3-hex-1-enyl-N-(3-methoxypropyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride
CID 68647937
N-(3-morpholin-4-ylpropyl)-3-pent-1-enylimidazo[1,2-b]pyridazin-6-amine
CID 68648132
3-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 58857801
3-hex-1-enyl-N-[3-(4-methylpiperazin-1-yl)propyl]imidazo[1,2-b]pyridazin-6-amine
CID 68648517
3-(cyclohexen-1-yl)-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 59519568
3-hept-1-enyl-N-(3-morpholin-4-ylpropyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride
CID 68648280
N-[6-(pyridin-2-ylmethylamino)pyridazin-3-yl]pentanamide
CID 113041958
2-[(Z)-pent-1-enyl]pyridine
CID 45079869
2-methyl-6-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 80777163

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-pent-1-enyl]-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride?
The IUPAC name of 3-[(E)-pent-1-enyl]-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride (CID 68648391) is 3-[(E)-pent-1-enyl]-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride.
What is the SMILES notation for 3-[(E)-pent-1-enyl]-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride?
The canonical SMILES for 3-[(E)-pent-1-enyl]-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride is CCC/C=C/c1cnc2ccc(NCc3ccccn3)nn12.Cl.
What is the InChIKey of 3-[(E)-pent-1-enyl]-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride?
The InChIKey is SAMGNMRXGPIYRG-ZFXMFRGYSA-N. The full InChI is InChI=1S/C17H19N5.ClH/c1-2-3-4-8-15-13-20-17-10-9-16(21-22(15)17)19-12-14-7-5-6-11-18-14;/h4-11,13H,2-3,12H2,1H3,(H,19,21);1H/b8-4+;.
What are the key properties of 3-[(E)-pent-1-enyl]-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride?
3-[(E)-pent-1-enyl]-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride has a molecular weight of 329.84 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-pent-1-enyl]-N-(pyridin-2-ylmethyl)imidazo[1,2-b]pyridazin-6-amine;hydrochloride is sourced from PubChem (CID 68648391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).