1,2,4-Triazolo(3,4-a)isoquinoline, 5,6-dihydro-8,9-dimethoxy-
Basic information
- CAS
35515-48-1- Standard SMILES
COc1cc2c(cc1OC)-c1nncn1CC2- InChIKey
OMHHCEOQISUAHU-UHFFFAOYSA-N- Molecular formula
- C12H13N3O2
- Average molar mass
- 231.25 g/mol
- Monoisotopic mass
- 231.10077667
Names & identifiers
- Preferred name
- 1,2,4-Triazolo(3,4-a)isoquinoline, 5,6-dihydro-8,9-dimethoxy-
- IUPAC
- 8,9-dimethoxy-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline
- English name
- 5,6-Dihydro-8,9-dimethoxy-1,2,4-triazolo[3,4-a]isoquinoline
- Molecular weight
- 0
Names & synonyms
35515-48-1BRN 08874535,6-Dihydro-8,9-dimethoxy-1,2,4-triazolo(3,4-a)isoquinoline1,2,4-Triazolo(3,4-a)isoquinoline, 5,6-dihydro-8,9-dimethoxy-8,9-Dimethoxy-3,4-dihydro(1,2,4)triazolo(3,4-a)isoquinolineRefChem:2150908,9-dimethoxy-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinoline8,9-dimethoxy-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinolineDTXSID009569125,6-Dihydro-8,9-dimethoxy-1,2,4-triazolo[3,4-a]isoquinoline
Database identifiers
- CAS
35515-48-1- PubChem CID
- 215337
- DTXSID
DTXSID00956912- Nikkaji
- J91.108I
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 49.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 276
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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