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4-[4-(hexahydro-1H-azepin-1-ylcarbonyl)-5-methyl-1H-1,2,3-triazol-1-yl]-1,2,5-oxadiazol-3-ylamine
SpectraBase Compound ID EAWHXNDr2pf
InChI InChI=1S/C12H17N7O2/c1-8-9(12(20)18-6-4-2-3-5-7-18)14-17-19(8)11-10(13)15-21-16-11/h2-7H2,1H3,(H2,13,15)
InChIKey ROJNXRWXKXAUPJ-UHFFFAOYSA-N
Mol Weight 291.31 g/mol
Molecular Formula C12H17N7O2
Exact Mass 291.144373 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BhacbVoCb5w
Name [1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-4-triazolyl]-(1-azepanyl)methanone
Alternate Name(s) [1-(4-amino-1,2,5-oxadiazol-3-yl)-5-methyl-triazol-4-yl]-(azepan-1-yl)methanone [1-(4-Aminofurazan-3-yl)-5-methyl-1H-[1,2,3]triazol-4-yl](azepan-1-yl)methanone [1-(4-aminofurazan-3-yl)-5-methyl-triazol-4-yl]-(azepan-1-yl)methanone [1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-methyl-1,2,3-triazol-4-yl]-(azepan-1-yl)methanone
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Formula C12H17N7O2
InChI InChI=1S/C12H17N7O2/c1-8-9(12(20)18-6-4-2-3-5-7-18)14-17-19(8)11-10(13)15-21-16-11/h2-7H2,1H3,(H2,13,15)
InChIKey ROJNXRWXKXAUPJ-UHFFFAOYSA-N
Molecular Weight 291.315 g/mol
SMILES Nc1c(-[n]2nnc(c2C)C(N2CCCCCC2)=O)non1
SPLASH splash10-0005-9870000000-90fc7250e33f24540225
Wiley ID 1441139