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January 28, 2026
C5H10N4
Datos Químicos de C5H10N4
ID
128144
Molecular Scaffold
gKT@ADiYi@@
Molecular Formula
C5H10N4
Elemental Composition %
C: 26.3157894736842%
H: 52.6315789473684%
O: 0%
N: 21.0526315789474%
Weight
126.162
Programa de Cálculo
G16
SMILES
CNc1c(NC)[nH]nc1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H10N4/c1-6-4-3-8-9-5(4)7-2/h3,6H,1-2H3,(H2,7,8,9)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
ATFNYDWNDUQLCW-UHFFFAOYSA-N