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

HCID 32703

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Basic information

CAS: 24848-47-3
Standard SMILES: CCC(C)N(CCC#N)c1nc(C)nc(C(Cl)(Cl)Cl)n1
InChIKey: VQDSOUGPNZXCHY-UHFFFAOYSA-N
Molecular formula: C12H16Cl3N5
Average molar mass: 336.6 g/mol
Monoisotopic mass: 335.047129

Names & identifiers

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

Names & synonyms

3-[butan-2-yl-[4-methyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]propanenitrile24848-47-3DTXSID502749963-{(Butan-2-yl)[4-methyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino}propanenitrile

Database identifiers

CAS: 24848-47-3
PubChem CID: 32703
DTXSID: DTXSID50274996
Nikkaji: J1.611.729C

Properties

Computed structural properties

XLogP: 3.5
Topological polar surface area: 65.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 5
Heavy atoms: 20
Formal charge: 0
Complexity: 351

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