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7-AMINO-4,5-DIHYDRO-5-PHENYL-(1,2,4)-TRIAZOLO-[1,5-A]-PYRIMIDINE-6-CARBONITRILE
SpectraBase Compound ID 1kbUdIEEmM6
InChI InChI=1S/C12H10N6/c13-6-9-10(8-4-2-1-3-5-8)17-12-15-7-16-18(12)11(9)14/h1-5,7,10H,14H2,(H,15,16,17)
InChIKey XGOXBJKDUOBVLU-UHFFFAOYSA-N
Mol Weight 238.25 g/mol
Molecular Formula C12H10N6
Exact Mass 238.096694 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID njlmlpsWub
Name 7-amino-5-phenyl-1,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
Alternate Name(s) 7-amino-5-phenyl-4,5-dihydro[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile 7-azanyl-5-phenyl-1,5-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carbonitrile
Comments Less than 3 mono-isotopic peaks
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C12H10N6
InChI InChI=1S/C12H10N6/c13-6-9-10(8-4-2-1-3-5-8)17-12-15-7-16-18(12)11(9)14/h1-5,7,10H,14H2,(H,15,16,17)
InChIKey XGOXBJKDUOBVLU-UHFFFAOYSA-N
Molecular Weight 238.254 g/mol
SMILES N1C(C(=C([n]2c1ncn2)N)C#N)c1ccccc1
SPLASH splash10-03di-0930000000-231bd603389444139e65
Source of Spectrum AJ-42-1116-13
Wiley ID 1568168