8-fluoranyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine hydrate

Systemtic Name: 8-fluoranyl-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine hydrate Openeye Name: 8-fluoro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine hydrate CAS Name: 8-fluoro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine hydrate IUPAC Name: 8-fluoro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-amine hydrate Traditional Name: [8-fluoro-1-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]quinoxalin-4-yl]amine hydrate Formula: C10H7F4N5O MolecularWeight: 289.189093

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1F)N3C(=NN=C3C(F)(F)F)C(=N2)N.O

Isomeric SMILES

C1=CC2=C(C=C1F)N3C(=NN=C3C(F)(F)F)C(=N2)N.O

InChI

InChI=1S/C10H5F4N5.H2O/c11-4-1-2-5-6(3-4)19-8(7(15)16-5)17-18-9(19)10(12,13)14;/h1-3H,(H2,15,16);1H2