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

HCID 35322

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Basic information

CAS: 30388-90-0
Standard SMILES: Cc1nc(N(CC#N)CC#N)nc(C(Cl)(Cl)Cl)n1
InChIKey: ONWJNQCQLFBZJJ-UHFFFAOYSA-N
Molecular formula: C9H7Cl3N6
Average molar mass: 305.5 g/mol
Monoisotopic mass: 303.979777

Names & identifiers

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

Names & synonyms

2-[cyanomethyl-[4-methyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]amino]acetonitrile30388-90-0DTXSID802752942,2'-{[4-Methyl-6-(trichloromethyl)-1,3,5-triazin-2-yl]azanediyl}diacetonitrile

Database identifiers

CAS: 30388-90-0
PubChem CID: 35322
DTXSID: DTXSID80275294
Nikkaji: J1.614.284K

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 89.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 6
Rotatable bonds: 3
Heavy atoms: 18
Formal charge: 0
Complexity: 359

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