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January 28, 2026
C5H10N4
Datos Químicos de C5H10N4
ID
126372
Molecular Scaffold
gK@AbeKbuPC~Dlr@
Molecular Formula
C5H10N4
Elemental Composition %
C: 26.3157894736842%
H: 52.6315789473684%
O: 0%
N: 21.0526315789474%
Weight
126.162
Programa de Cálculo
G16
SMILES
CC[C@]1N=C(NC)[N]N1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H12N4/c1-3-4-7-5(6-2)9-8-4/h4,8H,3H2,1-2H3,(H2,6,7,9)/t4-/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
VRBHKBVLPNRLOC-BYPYZUCNSA-N