Basic information
- CAS
445420-88-2- Standard SMILES
Cc1cc(C)n2nc(SCC(=O)NN=Cc3ccco3)nc2n1- InChIKey
FJQALZNQZDVBEA-UHFFFAOYSA-N- Molecular formula
- C14H14N6O2S
- Average molar mass
- 330.37 g/mol
Names & identifiers
- Preferred name
- 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(furan-2-ylmethylideneamino)acetamide
- IUPAC
- 2-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N-(furan-2-ylmethylideneamino)acetamide
- English name
- 2-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N'-(2-furylmethylene)acetohydrazide
- Molecular formula
- C14H14N6O2S
- Molecular weight
- 330.37
Names & synonyms
2-[(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanyl]-N'-(2-furylmethylene)acetohydrazide
Database identifiers
- CAS
445420-88-2
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 451
Physicochemical properties
- Melting point
- 190 · 190-192 °C
- Density
- 1.479 · 1.479±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 11.423 · 11.423±0.46(predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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