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3-Amino-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-2-ium-7(8H)-one chloride
SpectraBase Compound ID 1RX5XsJ8o01
InChI InChI=1S/C5H7N5O.ClH/c6-4-8-9-5-7-3(11)1-2-10(4)5;/h1-2H2,(H2,6,8)(H,7,9,11);1H
InChIKey WAFAMAMOUBLXAB-UHFFFAOYSA-N
Mol Weight 189.61 g/mol
Molecular Formula C5H8ClN5O
Exact Mass 189.041738 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 3xhD5xchShu
Name 3-Amino-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-2-ium-7(8H)-one chloride
Alternate Name(s) Hydrochloride of 3-amino-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrimidin-7(8H)-one 3-Amino-7-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrimidin-2-ium chloride
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Formula C5H8ClN5O
InChI InChI=1S/C5H7N5O.ClH/c6-4-8-9-5-7-3(11)1-2-10(4)5;/h1-2H2,(H2,6,8)(H,7,9,11);1H
InChIKey WAFAMAMOUBLXAB-UHFFFAOYSA-N
Molecular Weight 189.606 g/mol
SMILES [Cl-].Nc1[n]2c(n[nH+]1)NC(CC2)=O
SPLASH splash10-0pbm-9100000000-b65fae62ead8efa49abc
Source of Spectrum F-70-697-10
Wiley ID 1742564