Basic information
- Standard SMILES
N#Cc1ccc(Nc2nc(Cc3c(Cl)cccc3Cl)nc(NO)n2)cc1- InChIKey
JFMZQTVNYCWQGT-UHFFFAOYSA-N- Molecular formula
- C17H12Cl2N6O
- Average molar mass
- 387.2 g/mol
Names & identifiers
- Preferred name
- 4-[[4-[(2,6-Dichlorophenyl)methyl]-6-(hydroxyamino)-1,3,5-triazin-2-yl]amino]benzonitrile
- IUPAC
- 4-[[4-[(2,6-dichlorophenyl)methyl]-6-(hydroxyamino)-1,3,5-triazin-2-yl]amino]benzonitrile
Names & synonyms
4-[[4-[(2,6-dichlorophenyl)methyl]-6-(hydroxyamino)-1,3,5-triazin-2-yl]amino]benzonitrileCHEMBL71683SCHEMBL4184790JFMZQTVNYCWQGT-UHFFFAOYSA-N4-({5-[(2,6-Dichlorophenyl)methyl]-3-(hydroxyamino)1,3,5-triazin-2-yl}amino)benzenecarbonitrile
Database identifiers
- PubChem CID
- 486429
- ChEMBL
CHEMBL71683- Nikkaji
- J1.588.592K
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 107 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 485
Related reactions
2 records
Compound notes
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