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January 28, 2026
C4H7N3
Datos Químicos de C4H7N3
ID
3714
Molecular Scaffold
gK@ADeKbuH@
Molecular Formula
C4H7N3
Elemental Composition %
C: 28.5714285714286%
H: 50%
O: 0%
N: 21.4285714285714%
Weight
97.1206
Programa de Cálculo
G16
SMILES
CCc1cnn[nH]1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H7N3/c1-2-4-3-5-7-6-4/h3H,2H2,1H3,(H,5,6,7)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
SRZBHUBTUHPBDP-UHFFFAOYSA-N