Basic information
- CAS
87540-50-9- Standard SMILES
CCOc1cccc2c1cnn1c(-c3ccc(N(C)C)cc3Cl)nnc21- InChIKey
GVTMLVOAPRDWPY-UHFFFAOYSA-N- Molecular formula
- C19H18ClN5O
- Average molar mass
- 367.8 g/mol
- Monoisotopic mass
- 367.1199879
Names & identifiers
- Preferred name
- Benzenamine, 3-chloro-4-(6-ethoxy-1,2,4-triazolo(3,4-a)phthalazin-3-yl)-N,N-dimethyl-
- IUPAC
- 3-chloro-4-(7-ethoxy-[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-N,N-dimethylaniline
Names & synonyms
3-(2-Chloro-4-(dimethylamino)phenyl)-6-ethoxy-1,2,4-triazolo(3,4-a)phthalazine1,2,4-Triazolo(3,4-a)phthalazine, 3-(2-chloro-4-(dimethylamino)phenyl)-6-ethoxy-Benzenamine, 3-chloro-4-(6-ethoxy-1,2,4-triazolo(3,4-a)phthalazin-3-yl)-N,N-dimethyl-RefChem:32282187540-50-9DTXSID5010076223-Chloro-4-(7-ethoxy[1,2,4]triazolo[3,4-a]phthalazin-3-yl)-N,N-dimethylaniline
Database identifiers
- CAS
87540-50-9- PubChem CID
- 55729
- DTXSID
DTXSID501007622
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 55.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 481
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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