1,2,4-Triazine-3,5(2H,4H)-dione

• Formula: C₃H₃N₃O₂
• Molecular weight: 113.0748
• IUPAC Standard InChI: InChI=1S/C3H3N3O2/c7-2-1-4-6-3(8)5-2/h1H,(H2,5,6,7,8) Copy

  
• IUPAC Standard InChIKey: SSPYSWLZOPCOLO-UHFFFAOYSA-N Copy
• CAS Registry Number: 461-89-2
• Chemical structure:
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• Other names: 6-Azauracil; NSC 3425; as-Triazine-3,5-diol; as-Triazine-3,5(2H,4H)-dione; Azauracil; AZU; USAF CB-30; 4(6)-Azauracil; IPO 3834; 1,2,4-triazine-3,5-diol
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• Information on this page:
  • Gas phase ion energetics data
  • IR Spectrum
  • Mass spectrum (electron ionization)
  • References
  • Notes
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Gas phase ion energetics data

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

Ionization energy determinations

IR Spectrum

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Gas Phase Spectrum

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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.

Additional Data

Mass spectrum (electron ionization)

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

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Additional Data

References

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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Ajo, Casarin, et al., 1981
Ajo, D.; Casarin, M.; Granozzi, G.; Fragala, I., UV photoelectron spectra of 5- and 6-Azauracil, Chem. Phys. Lett., 1981, 80, 188. [all data]

Lifschitz, Bergmann, et al., 1967
Lifschitz, C.; Bergmann, E.D.; Pullman, B., The ionization potentials of biological purines and pyrimidines, Tetrahedron Lett., 1967, 4583. [all data]

Notes

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• Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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