1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(5-bromo-2-fluorophenyl)methylideneamino]-5-methyltriazole-4-carboxamide
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Basic information
- CAS
325799-44-8- Standard SMILES
Cc1c(C(=O)NN=Cc2cc(Br)ccc2F)nnn1-c1nonc1N- InChIKey
FSSCBJGFXQGOTA-UHFFFAOYSA-N- Molecular formula
- C13H10BrFN8O2
- Average molar mass
- 409.17 g/mol
- Monoisotopic mass
- 408.00941
Names & identifiers
- Preferred name
- 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(5-bromo-2-fluorophenyl)methylideneamino]-5-methyltriazole-4-carboxamide
- IUPAC
- 1-(4-amino-1,2,5-oxadiazol-3-yl)-N-[(5-bromo-2-fluorophenyl)methylideneamino]-5-methyltriazole-4-carboxamide
- English name
- 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(5-bromo-2-fluorobenzylidene)-5-methyl-1H-1,2,3-triazole-4-carbohydrazide
- Molecular formula
- C13H10BrFN8O2
- Molecular weight
- 409.17
Names & synonyms
1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-[(5-bromo-2-fluorophenyl)methylidene]-5-methyl-1H-1,2,3-triazole-4-carbohydrazide1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(5-bromo-2-fluorobenzylidene)-5-methyl-1H-1,2,3-triazole-4-carbohydrazide1H-1,2,3-Triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-, 2-[(5-bromo-2-fluorophenyl)methylene]hydrazide
Database identifiers
- CAS
325799-44-8- PubChem CID
- 1238239
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 137 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 514
Physicochemical properties
- Density
- 1.94 · 1.94±0.1 g/cm3(Predicted)
- pka
- 10.16 · 10.16±0.46(Predicted)
Related reactions
0 records
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Compound notes
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