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January 28, 2026
C4H7N5
Datos Químicos de C4H7N5
ID
28522
Molecular Scaffold
gFt@ATiTt@@@
Molecular Formula
C4H7N5
Elemental Composition %
C: 25%
H: 43.75%
O: 0%
N: 31.25%
Weight
125.135
Programa de Cálculo
G16
SMILES
Nc(nc1N)cnc1N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H7N5/c5-2-1-8-3(6)4(7)9-2/h1H,(H2,6,8)(H4,5,7,9)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
ALOJQGYOHJAGOO-UHFFFAOYSA-N