Basic information
- Standard SMILES
N#Cc1ccc(Nc2nc(N)nc(Cc3c(Cl)cccc3Cl)n2)cc1- InChIKey
BYARTTHGWGIRGS-UHFFFAOYSA-N- Molecular formula
- C17H12Cl2N6
- Average molar mass
- 371.2 g/mol
Names & identifiers
- Preferred name
- 4-[[4-Amino-6-[(2,6-dichlorophenyl)methyl]-1,3,5-triazin-2-yl]amino]benzonitrile
- IUPAC
- 4-[[4-amino-6-[(2,6-dichlorophenyl)methyl]-1,3,5-triazin-2-yl]amino]benzonitrile
Names & synonyms
CHEMBL3072974-[[4-amino-6-[(2,6-dichlorophenyl)methyl]-1,3,5-triazin-2-yl]amino]benzonitrileR-106168SCHEMBL4194428BYARTTHGWGIRGS-UHFFFAOYSA-NBDBM50467333R106168R 1061684-({3-Amino-5-[(2,6-dichlorophenyl)methyl]1,3,5-triazin-2-yl}amino)benzenecarbonitrile
Database identifiers
- PubChem CID
- 486362
- ChEMBL
CHEMBL307297- Nikkaji
- J1.588.557B
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 465
Related reactions
23 records
Linked notes
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