3-[[4-Methyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]propanenitrile
Basic information
- CAS
24848-44-0- Standard SMILES
Cc1nc(NCCC#N)nc(C(Cl)(Cl)Cl)n1- InChIKey
CMDMCMKDVVUMFZ-UHFFFAOYSA-N- Molecular formula
- C8H8Cl3N5
- Average molar mass
- 280.5 g/mol
- Monoisotopic mass
- 278.984528
Names & identifiers
- Preferred name
- 3-[[4-Methyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]propanenitrile
- IUPAC
- 3-[[4-methyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]propanenitrile
Names & synonyms
3-[[4-methyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]propanenitrile3-{[4-methyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino}propanenitrile24848-44-0DTXSID70274993
Database identifiers
- CAS
24848-44-0- PubChem CID
- 32700
- DTXSID
DTXSID70274993- Nikkaji
- J1.611.725K
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 74.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 271
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Compound notes
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