3-(4-Chlorophenyl)-5,6-diphenyl-1,2,4-triazine
Basic information
- CAS
62230-36-8- Standard SMILES
Clc1ccc(-c2nnc(-c3ccccc3)c(-c3ccccc3)n2)cc1- InChIKey
HEMAWLMONQHERA-UHFFFAOYSA-N- Molecular formula
- C21H14ClN3
- Average molar mass
- 343.8 g/mol
- Monoisotopic mass
- 343.0876252
Names & identifiers
- Preferred name
- 3-(4-Chlorophenyl)-5,6-diphenyl-1,2,4-triazine
- IUPAC
- 3-(4-chlorophenyl)-5,6-diphenyl-1,2,4-triazine
Names & synonyms
3-(4-chlorophenyl)-5,6-diphenyl-1,2,4-triazine62230-36-8DTXSID70423368RefChem:274512DTXCID90374207MLS000851423CHEMBL1711680HMS2798N21CCG-244197SMR000457866
Database identifiers
- CAS
62230-36-8- PubChem CID
- 6409904
- DTXSID
DTXSID70423368- ChEMBL
CHEMBL1711680
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 38.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 398
Experimental & physicochemical properties
Solubility<0.2 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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