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4-([1,2,4]Triazolo[5,1-c][1,2,4]triazin-3-yl)-2-(4-methoxyphenyl)-3-methyl-2,6-dihydro-7H-pyrazolo[3,4-d]pyridazin-7-one
SpectraBase Compound ID Entv41MoFA6
InChI InChI=1S/C17H13N9O2/c1-9-13-14(12-7-25-8-18-22-17(25)23-19-12)20-21-16(27)15(13)24-26(9)10-3-5-11(28-2)6-4-10/h3-8H,1-2H3,(H,21,27)
InChIKey PIYWKMSSXRBQNS-UHFFFAOYSA-N
Mol Weight 375.35 g/mol
Molecular Formula C17H13N9O2
Exact Mass 375.119221 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID BDpHxi3pl1H
Name 4-([1,2,4]Triazolo[5,1-c][1,2,4]triazin-3-yl)-2-(4-methoxyphenyl)-3-methyl-2,6-dihydro-7H-pyrazolo[3,4-d]pyridazin-7-one
Appearance Yellow solid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C17H13N9O2
InChI InChI=1S/C17H13N9O2/c1-9-13-14(12-7-25-8-18-22-17(25)23-19-12)20-21-16(27)15(13)24-26(9)10-3-5-11(28-2)6-4-10/h3-8H,1-2H3,(H,21,27)
InChIKey PIYWKMSSXRBQNS-UHFFFAOYSA-N
Instrument Name GC??MS QP1000 EX Shimadzu
Ionization Type EI
Literature Reference DOI 10.1002/jhet.3415
Molecular Weight 375.352 g/mol
SMILES N1C(c2c(C(=N1)C=1N=Nc3[n](C1)cnn3)c([n](n2)-c1ccc(cc1)OC)C)=O
SPLASH splash10-03fr-9100000000-68c1f700cca8e6915a68
Source of Spectrum Y-56-430-9a
Wiley ID 1859378