Basic information
- CAS
147567-56-4- Standard SMILES
CC1(C)Cc2ccccc2-c2nnc(-c3ccccc3)n21- InChIKey
CSCOJYVCYSWDLT-UHFFFAOYSA-N- Molecular formula
- C18H17N3
- Average molar mass
- 275.3 g/mol
- Monoisotopic mass
- 275.14224756
Names & identifiers
- Preferred name
- 1,2,4-Triazolo[3,4-a]isoquinoline, 5,6-dihydro-5,5-dimethyl-3-phenyl-
- IUPAC
- 5,5-dimethyl-3-phenyl-6H-[1,2,4]triazolo[3,4-a]isoquinoline
Names & synonyms
147567-56-41,2,4-Triazolo[3,4-a]isoquinoline, 5,6-dihydro-5,5-dimethyl-3-phenyl-5,5-dimethyl-3-phenyl-5,6-dihydro[1,2,4]triazolo[3,4-a]isoquinoline5,5-dimethyl-3-phenyl-6H-[1,2,4]triazolo[3,4-a]isoquinolineCambridge id 5266351MLS000105342SCHEMBL3001139CHEMBL1594779DTXSID90351311HMS1686E13HMS2420E12STK835156
Show more names
5,5-Dimethyl-3-phenyl-5,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinolineAKOS000548272CCG-111847SMR000102223CL-406115ST50223404AG-690/36164005SR-01000492208
Database identifiers
- CAS
147567-56-4- PubChem CID
- 697176
- DTXSID
DTXSID90351311- ChEMBL
CHEMBL1594779
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 375
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…