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January 28, 2026
C4H3N5
Datos Químicos de C4H3N5
ID
129016
Molecular Scaffold
diV`@@cBYJVUinFZif@G|IBC`
Molecular Formula
C4H3N5
Elemental Composition %
C: 33.3333333333333%
H: 25%
O: 0%
N: 41.6666666666667%
Weight
121.103
Programa de Cálculo
G16
SMILES
[CH]1C2=NN[N]N=C2N=C1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H4N5/c1-2-5-4-3(1)6-8-9-7-4/h1-2,8-9H
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
DSBFOZBUYZXQLK-UHFFFAOYSA-N