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3-Amino-2-benzyl[1,2,4]triazolo[4,3-a]pyrimidin-2-ium Chloride
SpectraBase Compound ID 4ZNbzmJekga
InChI InChI=1S/C12H11N5.ClH/c13-11-16-8-4-7-14-12(16)15-17(11)9-10-5-2-1-3-6-10;/h1-8,13H,9H2;1H
InChIKey XGHZEOMHBUYQIS-UHFFFAOYSA-N
Mol Weight 261.72 g/mol
Molecular Formula C12H12ClN5
Exact Mass 261.078123 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8moUOtzOwLo
Name 3-Amino-2-benzyl[1,2,4]triazolo[4,3-a]pyrimidin-2-ium Chloride
Copyright Copyright © 2020-2025 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H12ClN5
InChI InChI=1S/C12H11N5.ClH/c13-11-16-8-4-7-14-12(16)15-17(11)9-10-5-2-1-3-6-10;/h1-8,13H,9H2;1H
InChIKey XGHZEOMHBUYQIS-UHFFFAOYSA-N
Molecular Weight 261.716 g/mol
SMILES [Cl-].Nc1[n]2C=CC=Nc2n[n+]1Cc1ccccc1
SPLASH splash10-002f-9000000000-c14d5c054e2ec962f48c
Source of Spectrum HC-48-1418-3c
Synonyms 3-Amino-2-benzyl-[1,2,4]triazolo[4,3-a]pyrimidin-2-ium chloride
Wiley ID 1739142