Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C3H3N5O
Datos Químicos de C3H3N5O
ID
131372
Molecular Scaffold
daf`@@aFyJUWB[fje`@
Molecular Formula
C3H3N5O
Elemental Composition %
C: 25%
H: 25%
O: 8.33333333333333%
N: 41.6666666666667%
Weight
125.091
Programa de Cálculo
G16
SMILES
Oc1n[nH]c2c1nn[nH]2
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C3H3N5O/c9-3-1-2(5-7-3)6-8-4-1/h(H3,4,5,6,7,8,9)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
DPGAKWKDWWRXJO-UHFFFAOYSA-N