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January 28, 2026
C3H2N4O
Datos Químicos de C3H2N4O
ID
21784
Molecular Scaffold
gFr@AEdiTt@@@
Molecular Formula
C3H2N4O
Elemental Composition %
C: 30%
H: 20%
O: 10%
N: 40%
Weight
110.076
Programa de Cálculo
G16
SMILES
O=Cc1nnnnc1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H2N4O/c8-2-3-1-4-6-7-5-3/h1-2H
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
KZYXWCJVSYNDPD-UHFFFAOYSA-N