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January 28, 2026
C2H3N5
Datos Químicos de C2H3N5
ID
3876
Molecular Scaffold
gFr@AcTiTuZXADJ@
Molecular Formula
C2H3N5
Elemental Composition %
C: 20%
H: 30%
O: 0%
N: 50%
Weight
97.0808
Programa de Cálculo
G16
SMILES
NC1=N=C[N]N=N1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C2H4N5/c3-2-4-1-5-7-6-2/h1H,3H2,(H,5,6)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
PGMLVEWMHCOSLM-UHFFFAOYSA-N