Benzonitrile, 4-((4-amino-6-((3,5-difluorophenyl)methyl)-1,3,5-triazin-2-yl)amino)-
Basic information
- CAS
205381-72-2- Standard SMILES
N#Cc1ccc(Nc2nc(N)nc(Cc3cc(F)cc(F)c3)n2)cc1- InChIKey
KMBJNPIJUSHVFT-UHFFFAOYSA-N- Molecular formula
- C17H12F2N6
- Average molar mass
- 338.31 g/mol
- Monoisotopic mass
- 338.10915073
Names & identifiers
- Preferred name
- Benzonitrile, 4-((4-amino-6-((3,5-difluorophenyl)methyl)-1,3,5-triazin-2-yl)amino)-
- IUPAC
- 4-[[4-amino-6-[(3,5-difluorophenyl)methyl]-1,3,5-triazin-2-yl]amino]benzonitrile
Names & synonyms
205381-72-2Benzonitrile, 4-((4-amino-6-((3,5-difluorophenyl)methyl)-1,3,5-triazin-2-yl)amino)-4-[[4-amino-6-[(3,5-difluorophenyl)methyl]-1,3,5-triazin-2-yl]amino]benzonitrileBenzonitrile, 4-[[4-amino-6-[(3,5-difluorophenyl)methyl]-1,3,5-triazin-2-yl]amino]-4-({4-AMINO-6-[(3,5-DIFLUOROPHENYL)METHYL]-1,3,5-TRIAZIN-2-YL}AMINO)BENZONITRILEDTXSID60174539
Database identifiers
- CAS
205381-72-2- PubChem CID
- 505441
- DTXSID
DTXSID60174539
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 465
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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