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

HCID 32730

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Basic information

CAS: 24863-55-6
Standard SMILES: CCCCCc1nc(N(CC)CCC#N)nc(C(Cl)(Cl)Cl)n1
InChIKey: ZZYCPHOJAZPOHY-UHFFFAOYSA-N
Molecular formula: C14H20Cl3N5
Average molar mass: 364.7 g/mol
Monoisotopic mass: 363.078429

Names & identifiers

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

Names & synonyms

3-[ethyl-[4-pentyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]propanenitrile24863-55-6DTXSID902750033-{ethyl[4-pentyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino}propanenitrile

Database identifiers

CAS: 24863-55-6
PubChem CID: 32730
DTXSID: DTXSID90275003
Nikkaji: J1.611.748J

Properties

Computed structural properties

XLogP: 4.4
Topological polar surface area: 65.7 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 8
Heavy atoms: 22
Formal charge: 0
Complexity: 365

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