Basic information
- Standard SMILES
Cl.N#Cc1ccc(Nc2nc(Cc3c(Cl)cccc3Cl)nc(NO)n2)cc1.O- InChIKey
RLDFABGEZBZXTJ-UHFFFAOYSA-N- Molecular formula
- C17H15Cl3N6O2
- Average molar mass
- 441.7 g/mol
Names & identifiers
- Preferred name
- 4-[[4-[(2,6-Dichlorophenyl)methyl]-6-(hydroxyamino)-1,3,5-triazin-2-yl]amino]benzonitrile monohydrochloride monohydrate
- IUPAC
- 4-[[4-[(2,6-dichlorophenyl)methyl]-6-(hydroxyamino)-1,3,5-triazin-2-yl]amino]benzonitrile;hydrate;hydrochloride
Names & synonyms
SCHEMBL5002056RLDFABGEZBZXTJ-UHFFFAOYSA-N4-[[4-[(2,6-dichlorophenyl)methyl]-6-(hydroxyamino)-1,3,5-triazin-2-yl]amino]benzonitrile monohydrochloride monohydrate
Database identifiers
- PubChem CID
- 22281685
Properties
Computed structural properties
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 485
Related reactions
4 records
Compound notes
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