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January 28, 2026
C4H7N5
Datos Químicos de C4H7N5
ID
127101
Molecular Scaffold
gFr@AEdiTt@@@
Molecular Formula
C4H7N5
Elemental Composition %
C: 25%
H: 43.75%
O: 0%
N: 31.25%
Weight
125.135
Programa de Cálculo
G16
SMILES
CN(C)c1nnnnc1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H7N5/c1-9(2)4-3-5-7-8-6-4/h3H,1-2H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
KDQXPSQBEZKIGG-UHFFFAOYSA-N