Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C4H5N5
Datos Químicos de C4H5N5
ID
124020
Molecular Scaffold
diV`@@rfyJYVhVyjfj`dC~DSBp
Molecular Formula
C4H5N5
Elemental Composition %
C: 28.5714285714286%
H: 35.7142857142857%
O: 0%
N: 35.7142857142857%
Weight
123.119
Programa de Cálculo
G16
SMILES
C1N[CH]N=C2N=NN[C@@]12
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H6N5/c1-3-4(6-2-5-1)8-9-7-3/h2-3,5H,1H2,(H,6,7,8)/t3-/m1/s1
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
BTJUYNGBBAJXRZ-GSVOUGTGSA-N