Benzenamine, 4-(6-ethoxy-1,2,4-triazolo(3,4-a)phthalazin-3-yl)-N,N-dimethyl-
Basic information
- CAS
87540-43-0- Standard SMILES
CCOc1cccc2c1cnn1c(-c3ccc(N(C)C)cc3)nnc21- InChIKey
YXLVDYVQRPEGHT-UHFFFAOYSA-N- Molecular formula
- C19H19N5O
- Average molar mass
- 333.4 g/mol
- Monoisotopic mass
- 333.15896025
Names & identifiers
- Preferred name
- Benzenamine, 4-(6-ethoxy-1,2,4-triazolo(3,4-a)phthalazin-3-yl)-N,N-dimethyl-
- IUPAC
- 4-(7-ethoxy-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-N,N-dimethylaniline
Names & synonyms
87540-43-03-(4-(Dimethylamino)phenyl)-6-ethoxy-1,2,4-triazolo(3,4-a)phthalazine1,2,4-Triazolo(3,4-a)phthalazine, 3-(4-(dimethylamino)phenyl)-6-ethoxy-BENZENAMINE, 4-(6-ETHOXY-1,2,4-TRIAZOLO(3,4-a)PHTHALAZIN-3-YL)-N,N-DIMETHYL-RefChem:322899DTXSID8010076214-(7-Ethoxy[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-N,N-dimethylaniline
Database identifiers
- CAS
87540-43-0- PubChem CID
- 55727
- DTXSID
DTXSID801007621
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 440
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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