Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C3H5N5O
Datos Químicos de C3H5N5O
ID
131344
Molecular Scaffold
daF`@@bfyJUdfffX@@
Molecular Formula
C3H5N5O
Elemental Composition %
C: 21.4285714285714%
H: 35.7142857142857%
O: 7.14285714285714%
N: 35.7142857142857%
Weight
127.107
Programa de Cálculo
G16
SMILES
N=C(C(O)=NN1)NC1=N
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H5N5O/c4-1-2(9)7-8-3(5)6-1/h(H,7,9)(H4,4,5,6,8)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
BDKOGYUSCLRUPC-UHFFFAOYSA-N