Procorp is now available worldwide. Create Your Account today.
January 28, 2026
C4H6N4O
Datos Químicos de C4H6N4O
ID
124348
Molecular Scaffold
gKR@ALTiYj@_phaP
Molecular Formula
C4H6N4O
Elemental Composition %
C: 26.6666666666667%
H: 40%
O: 6.66666666666667%
N: 26.6666666666667%
Weight
126.119
Programa de Cálculo
G16
SMILES
CC(N1[N]N=C(C)[N]1)=O
Nivel de Teoría
B3LYP/6-31G(2df, p)
InChI
InChI=1S/C4H8N4O/c1-3-5-7-8(6-3)4(2)9/h7H,1-2H3,(H,5,6)
Calculation Keys
# B3LYP/6-31G(2df,p) scf=(maxcycle=9999) nosymm output=wfx
InChIKey
PXHNZPSQBYGQSQ-UHFFFAOYSA-N