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January 28, 2026
C3H6N4O
Datos Químicos de C3H6N4O
ID
21685
Molecular Scaffold
gKY@HDiZV@@
Molecular Formula
C3H6N4O
Elemental Composition %
C: 21.4285714285714%
H: 42.8571428571429%
O: 7.14285714285714%
N: 28.5714285714286%
Weight
114.108
Programa de Cálculo
G16
SMILES
Nc1c(N)onc1N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H6N4O/c4-1-2(5)7-8-3(1)6/h4,6H2,(H2,5,7)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
RNSVLLOHBFIDNF-UHFFFAOYSA-N