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January 28, 2026
C4H7N5
Datos Químicos de C4H7N5
ID
125682
Molecular Scaffold
gK@ALeKcMH@
Molecular Formula
C4H7N5
Elemental Composition %
C: 25%
H: 43.75%
O: 0%
N: 31.25%
Weight
125.135
Programa de Cálculo
G16
SMILES
Cc1n[nH]nc1C(N)=N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H7N5/c1-2-3(4(5)6)8-9-7-2/h1H3,(H3,5,6)(H,7,8,9)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
MMQPVYIYKYSMLW-UHFFFAOYSA-N