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January 28, 2026
C3H2N4O
Datos Químicos de C3H2N4O
ID
21370
Molecular Scaffold
dadh@HpnAJVwJ[jfi`ABPcX
Molecular Formula
C3H2N4O
Elemental Composition %
C: 30%
H: 20%
O: 10%
N: 40%
Weight
110.076
Programa de Cálculo
G16
SMILES
[CH]1N=C2O[N]N=C2N1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H3N4O/c1-4-2-3(5-1)8-7-6-2/h1,7H,(H,4,6)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
HISDQAONQRTJMY-UHFFFAOYSA-N