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3-[(4-Chlorobenzyl)amino]-7-methyl-1-phenyl[1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
SpectraBase Compound ID KH0j2WeDQEI
InChI InChI=1S/C19H16ClN5O/c1-13-11-17(26)24-18(21-12-14-7-9-15(20)10-8-14)23-25(19(24)22-13)16-5-3-2-4-6-16/h2-11H,12H2,1H3,(H,21,23)
InChIKey GJNTUEQQGPUWNA-UHFFFAOYSA-N
Mol Weight 365.82 g/mol
Molecular Formula C19H16ClN5O
Exact Mass 365.104338 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 23u3uJ0wgiy
Name 3-[(4-Chlorobenzyl)amino]-7-methyl-1-phenyl[1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H16ClN5O
InChI InChI=1S/C19H16ClN5O/c1-13-11-17(26)24-18(21-12-14-7-9-15(20)10-8-14)23-25(19(24)22-13)16-5-3-2-4-6-16/h2-11H,12H2,1H3,(H,21,23)
InChIKey GJNTUEQQGPUWNA-UHFFFAOYSA-N
Molecular Weight 365.824 g/mol
SMILES N(C=1N2C(N(c3ccccc3)N1)=NC(=CC2=O)C)Cc1ccc(cc1)Cl
SPLASH splash10-00or-3914000000-f4f711226356e7e4007c
Source of Spectrum HC-49-1505-8b
Synonyms 3-((4-chlorobenzyl)amino)-7-methyl-1-phenyl-[1,2,4]triazolo[4,3-a]pyrimidin-5(1H)-one
Wiley ID 1739307