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U12

Summary
Name:5-IMINO-4-(3-TRIFLUOROMETHYL-PHENYLAZO)-5H-PYRAZOL-3-YLAMINE
Formula:C10 H7 F3 N6
Formal charge:0
Formula weight:268.198 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs10.04(3Z)-3-imino-4-{(E)-[3-(trifluoromethyl)phenyl]diazenyl}-3H-pyrazol-5-amine
OpenEye OEToolkits1.5.05-imino-4-[3-(trifluoromethyl)phenyl]diazenyl-pyrazol-3-amine

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs10.04FC(F)(F)c2cccc(/N=N/C=1C(=[N@H])N=NC=1N)c2
SMILES_CANONICALCACTVS3.341NC1=C(N=Nc2cccc(c2)C(F)(F)F)C(=N)N=N1
SMILESCACTVS3.341NC1=C(N=Nc2cccc(c2)C(F)(F)F)C(=N)N=N1
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(cc(c1)/N=N/C2=C(N=NC2=N)N)C(F)(F)F
SMILESOpenEye OEToolkits1.5.0c1cc(cc(c1)N=NC2=C(N=NC2=N)N)C(F)(F)F
InChIInChI1.03InChI=1S/C10H7F3N6/c11-10(12,13)5-2-1-3-6(4-5)16-17-7-8(14)18-19-9(7)15/h1-4,14H,15H2/b14-8?,17-16+
InChIKeyInChI1.03SNTJRGVKGCPNBK-KGQVPBNKSA-N

222415

PDB entries from 2024-07-10

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