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January 28, 2026
C3H4N6
Datos Químicos de C3H4N6
ID
129335
Molecular Scaffold
gFr@AcTiTuZXADJ@
Molecular Formula
C3H4N6
Elemental Composition %
C: 23.0769230769231%
H: 30.7692307692308%
O: 0%
N: 46.1538461538462%
Weight
124.107
Programa de Cálculo
G16
SMILES
N=CNC1=N=CN=N[N]1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H5N6/c4-1-5-3-6-2-7-9-8-3/h1-2H,(H2,4,5)(H,7,8)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
VWCNICLLOASPQX-UHFFFAOYSA-N