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January 28, 2026
C3H3N5O
Datos Químicos de C3H3N5O
ID
129170
Molecular Scaffold
gO}@EVDfUMZi`G|SX
Molecular Formula
C3H3N5O
Elemental Composition %
C: 25%
H: 25%
O: 8.33333333333333%
N: 41.6666666666667%
Weight
125.091
Programa de Cálculo
G16
SMILES
[N][N][C@@](C(N1)=O)NC1=N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H7N5O/c4-3-6-1(8-5)2(9)7-3/h1,8H,5H2,(H3,4,6,7,9)/t1-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
YIUJOJPOOPWNNC-SFOWXEAESA-N