89354-15-4
4,5,6,7-TETRAHYDRO-6-HYDROXY-IMIDAZO[4,5-E][1,4]DIAZEPIN-8(1H)-ONE
Name4,5,6,7-TETRAHYDRO-6-HYDROXY-IMIDAZO[4,5-E][1,4]DIAZEPIN-8(1H)-ONE
1Identification
【Name】
4,5,6,7-TETRAHYDRO-6-HYDROXY-IMIDAZO[4,5-E][1,4]DIAZEPIN-8(1H)-ONE
【CAS】
【MDL】
MFCD21362615
【English Synonyms】
【Formula】
C6 H8 N4 O2
【MolWeight】
168.155
【Inchi】
InChI=1S/C6H8N4O2/c11-3-1-7-5-4(6(12)10-3)8-2-9-5/h2-3,7,11H,1H2,(H,8,9)(H,10,12)
【InChIKey】
InChIKey=HCLYCONTUAROEE-UHFFFAOYSA-N
【SMILES】
c1[nH]c2c(n1)NCC(NC2=O)O
【MOL File】
4,5,6,7-TETRAHYDRO-6….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:4
H bond acceptor:6
XLogP3:-2.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
4,5,6,7-TETRAHYDRO-6-HYDROXY-IMIDAZO[4,5-E][1,4]DIAZEPIN-8(1H)-ONE.cml