Basic information
- CAS
97110-31-1- Standard SMILES
OC1(c2ccc(Cl)cc2)N=CN[n+]2ccc3ccccc3c21- InChIKey
BHGKFSWHUYVRRH-UHFFFAOYSA-N- Molecular formula
- C17H13ClN3O+
- Average molar mass
- 310.8 g/mol
- Monoisotopic mass
- 310.0747147
Names & identifiers
- Preferred name
- Trazium
- IUPAC
- 1-(4-chlorophenyl)-4H-[1,2,4]triazino[6,1-a]isoquinolin-5-ium-1-ol
Names & synonyms
TraziumTrazium cationTrazium ionUNII-H5019W32B8H5019W32B897110-31-1(1,2,4)Triazino(6,1-a)isoquinolin-5-ium, 1-(4-chlorophenyl)-1,2-dihydro-1-hydroxy-RefChem:190699CHEMBL2111166SCHEMBL10571413Q27279644
Database identifiers
- CAS
97110-31-1- PubChem CID
- 72167
- ChEMBL
CHEMBL2111166- UNII
- H5019W32B8
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 48.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 22
- Formal charge
- 1
- Complexity
- 438
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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