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January 28, 2026
C5H10N4
Datos Químicos de C5H10N4
ID
128100
Molecular Scaffold
gK@ADeKbuH@
Molecular Formula
C5H10N4
Elemental Composition %
C: 26.3157894736842%
H: 52.6315789473684%
O: 0%
N: 21.0526315789474%
Weight
126.162
Programa de Cálculo
G16
SMILES
Cc1c(NC)n(C)nn1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H10N4/c1-4-5(6-2)9(3)8-7-4/h6H,1-3H3
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
XSKZDWHSENZLBB-UHFFFAOYSA-N