2-chloro-4,6-dimethylimidazo[1,2-b]pyridazin-4-ium

C8H9ClN3+ — CID 68501290

IUPAC2-chloro-4,6-dimethylimidazo[1,2-b]pyridazin-4-ium
SMILESCC1=N[N+]2(C)C=C(Cl)N=C2C=C1
InChIInChI=1S/C8H9ClN3/c1-6-3-4-8-10-7(9)5-12(8,2)11-6/h3-5H,1-2H3/q+1
InChIKeyVESBTJNIZUGGIQ-UHFFFAOYSA-N
MW182.63 g/mol
LogP1.83
Rot. Bonds

About 2-chloro-4,6-dimethylimidazo[1,2-b]pyridazin-4-ium

2-chloro-4,6-dimethylimidazo[1,2-b]pyridazin-4-ium (PubChem CID 68501290) has the molecular formula C8H9ClN3+ and a molecular weight of 182.63 g/mol. Its IUPAC name is 2-chloro-4,6-dimethylimidazo[1,2-b]pyridazin-4-ium.

Molecular Properties

Compound Name2-chloro-4,6-dimethylimidazo[1,2-b]pyridazin-4-ium
PubChem CID68501290
Molecular FormulaC8H9ClN3+
Molecular Weight182.63 g/mol
Exact Mass182.05
IUPAC Name2-chloro-4,6-dimethylimidazo[1,2-b]pyridazin-4-ium
SMILESCC1=N[N+]2(C)C=C(Cl)N=C2C=C1
InChIInChI=1S/C8H9ClN3/c1-6-3-4-8-10-7(9)5-12(8,2)11-6/h3-5H,1-2H3/q+1
InChIKeyVESBTJNIZUGGIQ-UHFFFAOYSA-N
XLogP1.83
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.63
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

6-methyl-3H-imidazo[1,2-b]pyridazin-3-ide;yttrium
CID 58857689
potassium;carbanide;6-methyl-3H-imidazo[1,2-b]pyridazin-3-ide
CID 59191450
N,2-bis(ethenyl)-6-methylpyridazin-3-imine
CID 139527800
N-ethenyl-2,6-dimethylpyridazin-3-imine
CID 139527815
2-ethenyl-N,6-dimethylpyridazin-3-imine
CID 144624834
americium;6-ethenyl-3H-imidazo[1,2-b]pyridazin-3-ide;yttrium
CID 145558209
ethane;N-ethenyl-2,6-dimethylpyridazin-3-imine
CID 145628751
ethane;2-ethenyl-N,6-dimethylpyridazin-3-imine
CID 163228773
2-ethenyl-6-ethyl-N-methylpyridazin-3-imine
CID 170747578
N-ethenyl-6-ethyl-2-methylpyridazin-3-imine
CID 168898416

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4,6-dimethylimidazo[1,2-b]pyridazin-4-ium?
The IUPAC name of 2-chloro-4,6-dimethylimidazo[1,2-b]pyridazin-4-ium (CID 68501290) is 2-chloro-4,6-dimethylimidazo[1,2-b]pyridazin-4-ium.
What is the SMILES notation for 2-chloro-4,6-dimethylimidazo[1,2-b]pyridazin-4-ium?
The canonical SMILES for 2-chloro-4,6-dimethylimidazo[1,2-b]pyridazin-4-ium is CC1=N[N+]2(C)C=C(Cl)N=C2C=C1.
What is the InChIKey of 2-chloro-4,6-dimethylimidazo[1,2-b]pyridazin-4-ium?
The InChIKey is VESBTJNIZUGGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN3/c1-6-3-4-8-10-7(9)5-12(8,2)11-6/h3-5H,1-2H3/q+1.
What are the key properties of 2-chloro-4,6-dimethylimidazo[1,2-b]pyridazin-4-ium?
2-chloro-4,6-dimethylimidazo[1,2-b]pyridazin-4-ium has a molecular weight of 182.63 g/mol, XLogP of 1.83, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4,6-dimethylimidazo[1,2-b]pyridazin-4-ium is sourced from PubChem (CID 68501290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).