[6-chloro-2-(4-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl-trimethylazanium iodide

C16H17Cl2IN4 — CID 10623951

IUPAC[6-chloro-2-(4-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl-trimethylazanium iodide
SMILESC[N+](C)(C)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)nn12.[I-]
InChIInChI=1S/C16H17Cl2N4.HI/c1-22(2,3)10-13-16(11-4-6-12(17)7-5-11)19-15-9-8-14(18)20-21(13)15;/h4-9H,10H2,1-3H3;1H/q+1;/p-1
InChIKeyLSTTUYARFMZQEO-UHFFFAOYSA-M
MW463.15 g/mol
LogP0.91
Rot. Bonds3

About [6-chloro-2-(4-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl-trimethylazanium iodide

[6-chloro-2-(4-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl-trimethylazanium iodide (PubChem CID 10623951) has the molecular formula C16H17Cl2IN4 and a molecular weight of 463.15 g/mol. Its IUPAC name is [6-chloro-2-(4-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl-trimethylazanium iodide.

Molecular Properties

Compound Name[6-chloro-2-(4-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl-trimethylazanium iodide
PubChem CID10623951
Molecular FormulaC16H17Cl2IN4
Molecular Weight463.15 g/mol
Exact Mass461.99
IUPAC Name[6-chloro-2-(4-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl-trimethylazanium iodide
SMILESC[N+](C)(C)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)nn12.[I-]
InChIInChI=1S/C16H17Cl2N4.HI/c1-22(2,3)10-13-16(11-4-6-12(17)7-5-11)19-15-9-8-14(18)20-21(13)15;/h4-9H,10H2,1-3H3;1H/q+1;/p-1
InChIKeyLSTTUYARFMZQEO-UHFFFAOYSA-M
XLogP0.91
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.15
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenyl) N-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]carbamate
CID 24754065
N-[[6-chloro-2-(4-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]methyl]pyridine-4-carboxamide
CID 24753236
N-[[2-(4-tert-butylphenyl)-6-chloroimidazo[1,2-b]pyridazin-3-yl]methyl]-2-fluorobenzamide
CID 11743772
6-chloro-3-(chloromethyl)-2-(4-chlorophenyl)imidazo[1,2-a]pyridine;hydrochloride
CID 67028658
4-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine;ethane
CID 143254997
3-(chloromethyl)-2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridine
CID 39133020
2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(3,4-dimethylpiperazin-1-yl)ethanone
CID 156575795
6-chloro-2-(4-chlorophenyl)imidazo[1,2-b]pyridazine
CID 15749998
3-[6-bromo-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]propan-1-amine
CID 170878846
1-[2-(4-chlorophenyl)-7-methylimidazo[1,2-a]pyridin-3-yl]-N,N-dimethylmethanamine;hydrochloride
CID 126467593
2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]ethanethioamide
CID 82030130
[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 2757796

Frequently Asked Questions

What is the IUPAC name of [6-chloro-2-(4-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl-trimethylazanium iodide?
The IUPAC name of [6-chloro-2-(4-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl-trimethylazanium iodide (CID 10623951) is [6-chloro-2-(4-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl-trimethylazanium iodide.
What is the SMILES notation for [6-chloro-2-(4-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl-trimethylazanium iodide?
The canonical SMILES for [6-chloro-2-(4-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl-trimethylazanium iodide is C[N+](C)(C)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)nn12.[I-].
What is the InChIKey of [6-chloro-2-(4-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl-trimethylazanium iodide?
The InChIKey is LSTTUYARFMZQEO-UHFFFAOYSA-M. The full InChI is InChI=1S/C16H17Cl2N4.HI/c1-22(2,3)10-13-16(11-4-6-12(17)7-5-11)19-15-9-8-14(18)20-21(13)15;/h4-9H,10H2,1-3H3;1H/q+1;/p-1.
What are the key properties of [6-chloro-2-(4-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl-trimethylazanium iodide?
[6-chloro-2-(4-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl-trimethylazanium iodide has a molecular weight of 463.15 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-2-(4-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]methyl-trimethylazanium iodide is sourced from PubChem (CID 10623951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).