6-Chloro[1,2,4]triazolo[4,3-b]pyridazin-3-amine

Base Information

• Chemical Name: 6-Chloro[1,2,4]triazolo[4,3-b]pyridazin-3-amine
• CAS No.: 53890-39-4
• Molecular Formula: C5H4ClN5
• Molecular Weight: 169.573
• Hs Code.: 2933990090
• European Community (EC) Number: 839-372-1
• DSSTox Substance ID: DTXSID20568314
• Wikidata: Q82454534
• Mol file: 53890-39-4.mol

Synonyms:53890-39-4;6-chloro[1,2,4]triazolo[4,3-b]pyridazin-3-amine;6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-amine;SCHEMBL1187755;DTXSID20568314;FAFHEBCGWJBDNK-UHFFFAOYSA-N;MFCD08444327;AKOS009100461;BS-13409;CS-0096418;EN300-24798;C15946;3-amino-6-chloro-1,2,4-triazolo[4,3-b]pyridazine;6-Chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-ylamin;6-Chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-ylamine;Z203043362

Chemical Property of 6-Chloro[1,2,4]triazolo[4,3-b]pyridazin-3-amine

Chemical Property:

• PSA: 69.83000
• LogP: 0.29000
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 169.0155228
• Heavy Atom Count: 11
• Complexity: 154

Purity/Quality:

97% ^*data from raw suppliers

6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=NN2C1=NN=C2N)Cl

Technology Process of 6-Chloro[1,2,4]triazolo[4,3-b]pyridazin-3-amine

There total 4 articles about 6-Chloro[1,2,4]triazolo[4,3-b]pyridazin-3-amine which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

3-Chloro-6-hydrazinopyridazine (17284-97-8) + bromocyane (506-68-3) → 6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-ylamine hydrobromide (1178583-12-4) + 6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-amine (53890-39-4)

Guidance literature:

3-Chloro-6-hydrazinopyridazine; bromocyane; In ethanol; water; acetonitrile; at 20 ℃;

With potassium carbonate; In ethanol; water; acetonitrile;

Reference yield:

3-Chloro-6-hydrazinopyridazine (17284-97-8) + bromocyane (506-68-3) → 6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-amine (53890-39-4)

Guidance literature:

With sodium acetate; In methanol;

Reference yield:

6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-ylamine hydrobromide (1178583-12-4) → 6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-amine (53890-39-4)

Guidance literature:

With potassium carbonate; In water; Product distribution / selectivity; Inert atmosphere;

upstream raw materials:

3-Chloro-6-hydrazinopyridazine

bromocyane

6-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-ylamine hydrobromide

Downstream raw materials:

C₁₇H₁₇F₃N₆

2-(6-chloro-3-imino-[1,2,4]triazolo[4,3-b]pyridazin-2-yl)-1-(3,5-di-tert-butyl-4-hydroxyphenyl)ethanone trifluoroacetate

N-[3-[2-(6-ethoxy-3-imino-[1,2,4]triazolo[4,3-b]pyridazin-2-yl)acetyl]-5-(pentafluorosulfanyl)phenyl]acetamide trifluoroacetate

1-{2-[3-acetylamino-5-(pentafluorosulfanyl)phenyl]-2-oxoethyl}-3-amino-6-ethoxy-[1,2,4]triazolo[4,3-b]pyridazin-1-ium trifluoroacetate

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