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N-(3-propionamido-1H-1,2,4-triazol-5-yl)propionamide
SpectraBase Compound ID 1ruRe661MTk
InChI InChI=1S/C8H13N5O2/c1-3-5(14)9-7-11-8(13-12-7)10-6(15)4-2/h3-4H2,1-2H3,(H3,9,10,11,12,13,14,15)
InChIKey MROIRCYPAFUJAB-UHFFFAOYSA-N
Mol Weight 211.22 g/mol
Molecular Formula C8H13N5O2
Exact Mass 211.106925 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID DJxa989oNAF
Name N-(3-propionamido-1H-1,2,4-triazol-5-yl)propionamide
Alternate Name(s) N-[3-(1-oxopropylamino)-1H-1,2,4-triazol-5-yl]propanamide N-[3-(propanoylamino)-1H-1,2,4-triazol-5-yl]propanamide
CAS Registry Number 80616-57-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C8H13N5O2
InChI InChI=1S/C8H13N5O2/c1-3-5(14)9-7-11-8(13-12-7)10-6(15)4-2/h3-4H2,1-2H3,(H3,9,10,11,12,13,14,15)
InChIKey MROIRCYPAFUJAB-UHFFFAOYSA-N
Molecular Weight 211.225 g/mol
SMILES N(C(=O)CC)c1nc(NC(CC)=O)n[nH]1
SPLASH splash10-052b-9510000000-4e1f1993ffca48876cf5
Source of Spectrum 0-16-374-1
Wiley ID 1210153