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January 28, 2026
C5H10N4
Datos Químicos de C5H10N4
ID
127131
Molecular Scaffold
gK@ALeKcMH@
Molecular Formula
C5H10N4
Elemental Composition %
C: 26.3157894736842%
H: 52.6315789473684%
O: 0%
N: 21.0526315789474%
Weight
126.162
Programa de Cálculo
G16
SMILES
Cc1n[nH]nc1N(C)C
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H10N4/c1-4-5(9(2)3)7-8-6-4/h1-3H3,(H,6,7,8)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
MXUYZDLSDGHFKV-UHFFFAOYSA-N