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N-(5-oxo-7-phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)isonicotinamide
SpectraBase Compound ID 37Mk9rpCrHV
InChI InChI=1S/C17H14N6O2/c24-14-10-13(11-4-2-1-3-5-11)23-17(19-14)21-16(22-23)20-15(25)12-6-8-18-9-7-12/h1-9,13H,10H2,(H2,19,20,21,22,24,25)
InChIKey VHZMCINLNIWWCQ-UHFFFAOYSA-N
Mol Weight 334.34 g/mol
Molecular Formula C17H14N6O2
Exact Mass 334.117824 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID Dq4YhhWnFRd
Name N-(5-oxo-7-Phenyl-4,5,6,7-tetrahydro[1,2,4]triazolo[1,5-A]pyrimidin-2-yl)isonicotinamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 334.117823713 u
Formula C17H14N6O2
InChI InChI=1S/C17H14N6O2/c24-14-10-13(11-4-2-1-3-5-11)23-17(19-14)21-16(22-23)20-15(25)12-6-8-18-9-7-12/h1-9,13H,10H2,(H2,19,20,21,22,24,25)
InChIKey VHZMCINLNIWWCQ-UHFFFAOYSA-N
Molecular Weight 334.339 g/mol
SMILES N(C1=NN2C(=N1)NC(CC2C=1C=CC=CC1)=O)C(=O)C1=CC=NC=C1