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3-METHYL-4-AMINO-5-CYANOMETHYL-4H-1,2,4-TRIAZOLE

View entire compound with spectra: 2 NMR, and 1 MS (GC)

3-METHYL-4-AMINO-5-CYANOMETHYL-4H-1,2,4-TRIAZOLE
SpectraBase Compound ID 74ojI6iq6DH
InChI InChI=1S/C5H6N4/c1-4-7-5(2-3-6)9-8-4/h2H2,1H3,(H,7,8,9)
InChIKey JPJXXDXAJJOQOX-UHFFFAOYSA-N
Mol Weight 122.13 g/mol
Molecular Formula C5H6N4
Exact Mass 122.059246 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EILxkEVXYT1
Name (3-methyl-1H-1,2,4-triazol-5-yl)acetonitrile
Alternate Name(s) (5-Methyl-2H-[1,2,4]triazol-3-yl)acetonitrile 2-(5-Methyl-1H-1,2,4-triazol-3-yl)acetonitrile 2-(5-Methyl-1H-1,2,4-triazol-3-yl)ethanenitrile
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C5H6N4
InChI InChI=1S/C5H6N4/c1-4-7-5(2-3-6)9-8-4/h2H2,1H3,(H,7,8,9)
InChIKey JPJXXDXAJJOQOX-UHFFFAOYSA-N
Molecular Weight 122.131 g/mol
SMILES [nH]1nc(nc1CC#N)C
SPLASH splash10-0fdo-9100000000-824750a5f2daa6e15937
Wiley ID 1440332