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Summary

Name:6-methyl-5-{[3-(trifluoromethyl)phenyl]amino}-1,2,4-triazin-3(4H)-one
Formula:C11 H9 F3 N4 O
Formal charge:0
Molecular weight:270.211 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.016-methyl-5-{[3-(trifluoromethyl)phenyl]amino}-1,2,4-triazin-3(4H)-one
OpenEye OEToolkits1.7.66-methyl-5-[[3-(trifluoromethyl)phenyl]amino]-4H-1,2,4-triazin-3-one

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01O=C2N=NC(=C(Nc1cc(ccc1)C(F)(F)F)N2)C
InChIInChI1.03InChI=1S/C11H9F3N4O/c1-6-9(16-10(19)18-17-6)15-8-4-2-3-7(5-8)11(12,13)14/h2-5H,1H3,(H2,15,16,18,19)
InChIKeyInChI1.03DDMOHNSTFUBVJB-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC1=C(NC(=O)N=N1)Nc2cccc(c2)C(F)(F)F
SMILESCACTVS3.385CC1=C(NC(=O)N=N1)Nc2cccc(c2)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits1.7.6CC1=C(NC(=O)N=N1)Nc2cccc(c2)C(F)(F)F
SMILESOpenEye OEToolkits1.7.6CC1=C(NC(=O)N=N1)Nc2cccc(c2)C(F)(F)F