3-[Methyl-[4-methyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]propanenitrile

HCID 32701

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Basic information

CAS: 24848-45-1
Standard SMILES: Cc1nc(N(C)CCC#N)nc(C(Cl)(Cl)Cl)n1
InChIKey: DRHFIUDAFVYYTA-UHFFFAOYSA-N
Molecular formula: C9H10Cl3N5
Average molar mass: 294.6 g/mol
Monoisotopic mass: 293.000178

Names & identifiers

Preferred name: 3-[Methyl-[4-methyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]propanenitrile
IUPAC: 3-[methyl-[4-methyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]propanenitrile

Names & synonyms

3-[methyl-[4-methyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]propanenitrile24848-45-1DTXSID302749943-{methyl[4-methyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino}propanenitrile

Database identifiers

CAS: 24848-45-1
PubChem CID: 32701
DTXSID: DTXSID30274994
Nikkaji: J1.611.726I

Properties

Computed structural properties

XLogP: 2.2
Topological polar surface area: 65.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 3
Heavy atoms: 17
Formal charge: 0
Complexity: 297

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