4656-86-4

Name 1,5-dihydro-4H-imidazo[4,5-d]-1,2,3-triazin-4-one
CAS 4656-86-4
EINECS(EC#) 225-096-3
Molecular Formula C4H3N5O
MDL Number MFCD19216826
Molecular Weight 137.1
MOL File 4656-86-4.mol

Chemical Properties

density  2.26±0.1 g/cm3(Predicted)
storage temp.  2-8°C
form  neat
pka 8.66±0.20(Predicted)
Major Application pharmaceutical
pharmaceutical small molecule
InChI 1S/C4H3N5O/c10-4-2-3(6-1-5-2)7-9-8-4/h1,9H,(H,8,10)
InChIKey WXKVKFJUCMCVFI-UHFFFAOYSA-N
SMILES N1NC(=O)C2=NC=NC2=N1

Safety Data

Symbol(GHS)  Exclamation Mark (GHS07)
GHS07
Signal word  Warning
Hazard statements  H302+H312+H332
Precautionary statements  P271-P260-P280
WGK Germany  WGK 3
HS Code  2933999552
Storage Class 11 - Combustible Solids

Hazard Information

Supplier