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January 28, 2026
C3H4N4
Datos Químicos de C3H4N4
ID
3842
Molecular Scaffold
gF|@AjeJfmM@OxeP
Molecular Formula
C3H4N4
Elemental Composition %
C: 27.2727272727273%
H: 36.3636363636364%
O: 0%
N: 36.3636363636364%
Weight
96.0928
Programa de Cálculo
G16
SMILES
[NH]C1=NC=C[N]N1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H5N4/c4-3-5-1-2-6-7-3/h1-2,4,6H,(H,5,7)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
VAUIOGGNJDTNCW-UHFFFAOYSA-N