3-Bromo-6-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-ylsulfanyl)-quinoline

HCID 24900976

Notes Reactions

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1ccc2nnc(Sc3ccc4ncc(Br)cc4c3)n2n1
InChIKey: RSSZSDCPKPCVCT-UHFFFAOYSA-N
Molecular formula: C15H10BrN5S
Average molar mass: 372.2 g/mol

Names & identifiers

Preferred name: 3-Bromo-6-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-ylsulfanyl)-quinoline
IUPAC: 3-bromo-6-[(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)sulfanyl]quinoline

Names & synonyms

SCHEMBL4253477RSSZSDCPKPCVCT-UHFFFAOYSA-N3-bromo-6-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-ylsulfanyl)-quinoline

Database identifiers

PubChem CID: 24900976

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 81.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 2
Heavy atoms: 22
Formal charge: 0
Complexity: 400

Related reactions

8 records

New reaction record

HRID 834892As reactantTest data from https://doi.org/10.1039/C8SC04228D

HRID 1890957As productuspto-grants-2013_08

HRID 1890958As productuspto-grants-2013_08

HRID 1890959As reactantuspto-grants-2013_08

HRID 1890961As reactantuspto-grants-2013_08

HRID 1890968As reactantuspto-grants-2013_08

HRID 1890969As reactantuspto-grants-2013_08

HRID 2345746As productTraining data from https://doi.org/10.1039/C8SC04228D (10/10)

Compound notes

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