79570-57-3
1,5-DIHYDRO-1-(HYDROXYMETHYL)-4H-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE
Name1,5-DIHYDRO-1-(HYDROXYMETHYL)-4H-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE
1Identification
【Name】
1,5-DIHYDRO-1-(HYDROXYMETHYL)-4H-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE
【CAS】
【MDL】
MFCD16620123
【English Synonyms】
【Formula】
C6 H6 N4 O2
【MolWeight】
166.139
【Inchi】
InChI=1S/C6H6N4O2/c11-3-10-5-4(1-9-10)6(12)8-2-7-5/h1-2,11H,3H2,(H,7,8,12)
【InChIKey】
InChIKey=LZXYBDOUWSRDOU-UHFFFAOYSA-N
【SMILES】
c1c2c(=O)[nH]cnc2n(n1)CO
【MOL File】
1,5-DIHYDRO-1-(HYDRO….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:6
XLogP3:-1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,5-DIHYDRO-1-(HYDROXYMETHYL)-4H-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE.cml