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January 28, 2026
C5H10N4
Datos Químicos de C5H10N4
ID
56596
Molecular Scaffold
eO`BNZ`@
Molecular Formula
C5H10N4
Elemental Composition %
C: 26.3157894736842%
H: 52.6315789473684%
O: 0%
N: 21.0526315789474%
Weight
126.162
Programa de Cálculo
G16
SMILES
N[C@H]([C@H](C#N)N)[C@@H]1NC1
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C5H10N4/c6-1-3(7)5(8)4-2-9-4/h3-5,9H,2,7-8H2/t3-,4+,5+/m0/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
ASBZWFBQBCRSAI-VPENINKCSA-N