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5-(2-Fluorophenyl)-8-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile
SpectraBase Compound ID 44SV27Zw26U
InChI InChI=1S/C13H8FN5O/c1-18-12(20)9(6-15)11(19-7-16-17-13(18)19)8-4-2-3-5-10(8)14/h2-5,7H,1H3
InChIKey LBQHRJBEXNWLQO-UHFFFAOYSA-N
Mol Weight 269.24 g/mol
Molecular Formula C13H8FN5O
Exact Mass 269.071288 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 1farNuEYOd
Name 5-(2-Fluorophenyl)-8-methyl-7-oxo-7,8-dihydro[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile
CAS Registry Number 349494-05-9
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C13H8FN5O
InChI InChI=1S/C13H8FN5O/c1-18-12(20)9(6-15)11(19-7-16-17-13(18)19)8-4-2-3-5-10(8)14/h2-5,7H,1H3
InChIKey LBQHRJBEXNWLQO-UHFFFAOYSA-N
Molecular Weight 269.239 g/mol
SMILES c1ccc(C2=C(C(=O)N(c3[n]2cnn3)C)C#N)c(F)c1
SPLASH splash10-0002-9840000000-85cbc9467d76566033f0
Source of Spectrum AD-0-2532-0
Synonyms 1,2,4-Triazolo[4,3-a]pyrimidine-6-carbonitrile, 7,8-dihydro-5-(2-fluorophenyl)-8-methyl-7-oxo- 5-(2-fluorophenyl)-7-keto-8-methyl-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile 5-(2-fluorophenyl)-8-methyl-7-oxidanylidene-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile 5-(2-fluorophenyl)-8-methyl-7-oxo-[1,2,4]triazolo[4,3-a]pyrimidine-6-carbonitrile
Wiley ID 1426630