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3-Amino-2-benzyl-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-2-ium Chloride
SpectraBase Compound ID 3pCpFEdVRjc
InChI InChI=1S/C14H15N5.ClH/c1-10-8-11(2)19-13(15)18(17-14(19)16-10)9-12-6-4-3-5-7-12;/h3-8,15H,9H2,1-2H3;1H
InChIKey NCXUVLGRDUKXPT-UHFFFAOYSA-N
Mol Weight 289.77 g/mol
Molecular Formula C14H16ClN5
Exact Mass 289.109423 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID FOc0xVKrwWx
Name 3-Amino-2-benzyl-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidin-2-ium Chloride
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C14H16ClN5
InChI InChI=1S/C14H15N5.ClH/c1-10-8-11(2)19-13(15)18(17-14(19)16-10)9-12-6-4-3-5-7-12;/h3-8,15H,9H2,1-2H3;1H
InChIKey NCXUVLGRDUKXPT-UHFFFAOYSA-N
Molecular Weight 289.770 g/mol
SMILES [Cl-].Nc1[n+](Cc2ccccc2)nc2[n]1C(=CC(C)=N2)C
SPLASH splash10-0aou-9520000000-a420166e54d1fdef56b8
Source of Spectrum HC-48-1418-3a
Synonyms 3-Amino-2-benzyl-5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-2-ium chloride
Wiley ID 1739144