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January 28, 2026
C3H5N5
Datos Químicos de C3H5N5
ID
20682
Molecular Scaffold
gFr@ALTiTvYhABbW@
Molecular Formula
C3H5N5
Elemental Composition %
C: 23.0769230769231%
H: 38.4615384615385%
O: 0%
N: 38.4615384615385%
Weight
111.108
Programa de Cálculo
G16
SMILES
C[C@@]1N=C([NH])=N[N]N1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H7N5/c1-2-5-3(4)7-8-6-2/h2,4,6,8H,1H3/t2-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
VZMKBQVBXVESAM-UWTATZPHSA-N