Basic information
- CAS
7626-70-2- Standard SMILES
Clc1ccc(-c2nnc3c4ccccc4ccn23)cc1- InChIKey
RTKGCCKBEUMWKR-UHFFFAOYSA-N- Molecular formula
- C16H10ClN3
- Average molar mass
- 279.72 g/mol
- Monoisotopic mass
- 279.056325
Names & identifiers
- Preferred name
- 3-(4-Chlorophenyl)-[1,2,4]triazolo[3,4-a]isoquinoline
- IUPAC
- 3-(4-chlorophenyl)-[1,2,4]triazolo[3,4-a]isoquinoline
Names & synonyms
7626-70-23-(4-chlorophenyl)-[1,2,4]triazolo[3,4-a]isoquinoline3-(4-chlorophenyl)[1,2,4]triazolo[3,4-a]isoquinolineNSC109720DTXSID00296522NSC 109720NSC-109720
Database identifiers
- CAS
7626-70-2- PubChem CID
- 269129
- DTXSID
DTXSID00296522
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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