58413-40-4
3,7-DIHYDRO-3-HYDROXY-4H-IMIDAZO[4,5-D]-1,2,3-TRIAZIN-4-ONE
Name3,7-DIHYDRO-3-HYDROXY-4H-IMIDAZO[4,5-D]-1,2,3-TRIAZIN-4-ONE
1Identification
【Name】
3,7-DIHYDRO-3-HYDROXY-4H-IMIDAZO[4,5-D]-1,2,3-TRIAZIN-4-ONE
【CAS】
【MDL】
MFCD20665608
【English Synonyms】
【Formula】
C4 H3 N5 O2
【MolWeight】
153.101
【Inchi】
InChI=1S/C4H3N5O2/c10-4-2-3(6-1-5-2)7-8-9(4)11/h1,11H,(H,5,6)
【InChIKey】
InChIKey=YARKYKZKHXZLJU-UHFFFAOYSA-N
【SMILES】
c1[nH]c2c(n1)c(=O)n(nn2)O
【MOL File】
3,7-DIHYDRO-3-HYDROX….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3,7-DIHYDRO-3-HYDROXY-4H-IMIDAZO[4,5-D]-1,2,3-TRIAZIN-4-ONE.cml