7-Bromo-6-methyl(1,2,4)triazolo(4,3-b)pyridazin-8(5H)-one

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Basic information

CAS: 81123-36-6
Standard SMILES: Cc1[nH]n2cnnc2c(=O)c1Br
InChIKey: JEIWCAMAYXHHES-UHFFFAOYSA-N
Molecular formula: C6H5BrN4O
Average molar mass: 229.03 g/mol
Monoisotopic mass: 227.96467

Names & identifiers

Preferred name: 7-Bromo-6-methyl(1,2,4)triazolo(4,3-b)pyridazin-8(5H)-one
IUPAC: 7-bromo-6-methyl-5H-[1,2,4]triazolo[4,3-b]pyridazin-8-one

Names & synonyms

81123-36-6DTXSID5010017937-Bromo-6-methyl(1,2,4)triazolo(4,3-b)pyridazin-8(5H)-one7-Bromo-6-methyl[1,2,4]triazolo[4,3-b]pyridazin-8(5H)-oneRefChem:1074364DTXCID8014287347-Bromo-6-methyl-s-triazolo(4,3-b)pyridazin-8-ols-Triazolo(4,3-b)pyridazin-8-ol, 7-bromo-6-methyl-CHEMBL1617989AKOS024372895NCGC00245496-01ST51010832

Show more names

AG-690/36162059SR-01000394296SR-01000394296-17-bromo-6-methyl[1,2,4]triazolo[4,3-b]pyridazin-8-ol7-bromo-6-methyl-4-hydro-1,2,4-triazolo[4,3-e]pyridazin-8-ol

Database identifiers

CAS: 81123-36-6
PubChem CID: 3067289
DTXSID: DTXSID501001793
ChEMBL: CHEMBL1617989
Nikkaji: J92.741D

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 59.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 12
Formal charge: 0
Complexity: 264

Experimental & physicochemical properties

LogP-0.68

Related reactions

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Compound notes

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