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1H-[1,2,4]Triazole-3-carboxylic acid (4-dimethylcarbamoyl-phenyl)-amide
SpectraBase Compound ID 5tljXaJTQSS
InChI InChI=1S/C12H13N5O2/c1-17(2)12(19)8-3-5-9(6-4-8)15-11(18)10-13-7-14-16-10/h3-7H,1-2H3,(H,15,18)(H,13,14,16)
InChIKey XNRXCBVKOZCLID-UHFFFAOYSA-N
Mol Weight 259.27 g/mol
Molecular Formula C12H13N5O2
Exact Mass 259.106925 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID A3NXlJfaUSv
Name 1H-[1,2,4]Triazole-3-carboxylic acid (4-dimethylcarbamoyl-phenyl)-amide
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Formula C12H13N5O2
InChI InChI=1S/C12H13N5O2/c1-17(2)12(19)8-3-5-9(6-4-8)15-11(18)10-13-7-14-16-10/h3-7H,1-2H3,(H,15,18)(H,13,14,16)
InChIKey XNRXCBVKOZCLID-UHFFFAOYSA-N
Molecular Weight 259.269 g/mol
SMILES [nH]1cnc(C(Nc2ccc(C(N(C)C)=O)cc2)=O)n1
SPLASH splash10-00kb-7940000000-bda3758eea6911863c80
Synonyms N-(4-[(Dimethylamino)carbonyl]phenyl)-1H-1,2,4-triazole-3-carboxamide N-[4-(dimethylcarbamoyl)phenyl]-1H-1,2,4-triazole-5-carboxamide N-[4-[dimethylamino(oxo)methyl]phenyl]-1H-1,2,4-triazole-5-carboxamide
Wiley ID 1462074