36770-53-3

Name Pyridine, 4-[5-(4-pyridinyl)-1H-1,2,4-triazol-3-yl]-, 1-oxide
CAS 36770-53-3
Molecular Formula C12H9N5O
Molecular Weight 239.23
MOL File 36770-53-3.mol
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Chemical Properties

Melting point  322-323 °C (decomp)
Boiling point  654.8±65.0 °C(Predicted)
density  1.43±0.1 g/cm3(Predicted)
pka 7.55±0.10(Predicted)
InChI InChI=1S/C12H9N5O/c18-17-7-3-10(4-8-17)12-14-11(15-16-12)9-1-5-13-6-2-9/h1-8H,(H,14,15,16)
InChIKey XFBYAXNMWATQGT-UHFFFAOYSA-N
SMILES C1=NC=CC(C2N=C(C3=CC=[N+]([O-])C=C3)NN=2)=C1

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