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1H-1,2,3-triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-, ethyl ester

View entire compound with spectra: 1 NMR, and 1 MS (GC)

1H-1,2,3-triazole-4-carboxylic acid, 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-, ethyl ester
SpectraBase Compound ID CiW5VkebHgF
InChI InChI=1S/C14H22N8O4/c1-2-25-14(24)11-10(9-21-5-3-20(4-6-21)7-8-23)22(19-16-11)13-12(15)17-26-18-13/h23H,2-9H2,1H3,(H2,15,17)
InChIKey DBWLEDGWEYHNPE-UHFFFAOYSA-N
Mol Weight 366.38 g/mol
Molecular Formula C14H22N8O4
Exact Mass 366.176401 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID ByvFGh8EfjD
Name 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[4-(2-hydroxyethyl)-1-piperazinyl]methyl]-4-triazolecarboxylic acid ethyl ester
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H22N8O4
InChI InChI=1S/C14H22N8O4/c1-2-25-14(24)11-10(9-21-5-3-20(4-6-21)7-8-23)22(19-16-11)13-12(15)17-26-18-13/h23H,2-9H2,1H3,(H2,15,17)
InChIKey DBWLEDGWEYHNPE-UHFFFAOYSA-N
Molecular Weight 366.382 g/mol
SMILES Nc1c(-[n]2c(CN3CCN(CCO)CC3)c(nn2)C(=O)OCC)non1
SPLASH splash10-002f-4911000000-92d4fbb8bd7ac70c9278
Synonyms 1-(4-aminofurazan-3-yl)-5-[[4-(2-hydroxyethyl)piperazino]methyl]triazole-4-carboxylic acid ethyl ester Ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]triazole-4-carboxylate Ethyl 1-(4-amino-1,2,5-oxadiazol-3-yl)-5-{[4-(2-hydroxyethyl)-1-piperazinyl]methyl}-1H-1,2,3-triazole-4-carboxylate Ethyl 1-(4-azanyl-1,2,5-oxadiazol-3-yl)-5-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-1,2,3-triazole-4-carboxylate
Wiley ID 1453843