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January 28, 2026
C4H7N5
Datos Químicos de C4H7N5
ID
127686
Molecular Scaffold
gFr@AMTiTvZdADb@
Molecular Formula
C4H7N5
Elemental Composition %
C: 25%
H: 43.75%
O: 0%
N: 31.25%
Weight
125.135
Programa de Cálculo
G16
SMILES
CC1=NN(C)[N]N=C1[NH]
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H8N5/c1-3-4(5)6-8-9(2)7-3/h5,8H,1-2H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
VKWGQOOUXMIKNC-UHFFFAOYSA-N