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January 28, 2026
C4H8N5
Datos Químicos de C4H8N5
ID
124712
Molecular Scaffold
gK@ADeKbuH@
Molecular Formula
C4H8N5
Elemental Composition %
C: 23.5294117647059%
H: 47.0588235294118%
O: 0%
N: 29.4117647058824%
Weight
126.143
Programa de Cálculo
G16
SMILES
CC(Nc1cnn[nH]1)=[NH2]
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H8N5/c1-3(5)7-4-2-6-9-8-4/h2H,5H2,1H3,(H2,6,7,8,9)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
GOFWXWVTYNRGRJ-UHFFFAOYSA-N