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January 28, 2026
C4H7N5
Datos Químicos de C4H7N5
ID
127958
Molecular Scaffold
gOr@ADtiUMZe`@
Molecular Formula
C4H7N5
Elemental Composition %
C: 25%
H: 43.75%
O: 0%
N: 31.25%
Weight
125.135
Programa de Cálculo
G16
SMILES
C/N=C1NN=NC=C1N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H7N5/c1-6-4-3(5)2-7-9-8-4/h2H,1H3,(H2,5,9)(H,6,7,8)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
YYLHIPZYXYXSST-UHFFFAOYSA-N