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1,2,4-Triazolo[4,3-a]pyrimidinium, 2,3-dihydro-1-(3-hydroxypropyl)-5,7-dimethyl-3-oxo-, hydroxide, inner salt
SpectraBase Compound ID 2hAm49nV5bA
InChI InChI=1S/C10H14N4O2/c1-7-6-8(2)14-9(11-7)13(4-3-5-15)12-10(14)16/h6,15H,3-5H2,1-2H3
InChIKey DAQHFTLSCHWKBO-UHFFFAOYSA-N
Mol Weight 222.25 g/mol
Molecular Formula C10H14N4O2
Exact Mass 222.111676 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID JT86xKzmTHJ
Name 1,2,4-Triazolo[4,3-a]pyrimidinium, 2,3-dihydro-1-(3-hydroxypropyl)-5,7-dimethyl-3-oxo-, hydroxide, inner salt
CAS Registry Number 116060-68-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C10H14N4O2
InChI InChI=1S/C10H14N4O2/c1-7-6-8(2)14-9(11-7)13(4-3-5-15)12-10(14)16/h6,15H,3-5H2,1-2H3
InChIKey DAQHFTLSCHWKBO-UHFFFAOYSA-N
Molecular Weight 222.248 g/mol
SMILES OCCC[n]1c2[n+](c(n1)[O-])c(cc(C)n2)C
SPLASH splash10-0a4i-0930000000-2c60638b25ae66506cba
Source of Spectrum KC-1988-355-5
Synonyms 1-(3-Hydroxypropyl)-5,7-dimethyl-1H-1,2,4-triazolo[4,3-a]pyrimidinium-3-olate 1-(3-hydroxypropyl)-5,7-dimethyl-1H-[1,2,4]triazolo[4,3-a]pyrimidin-4-ium-3-olate
Wiley ID 1221905