650628-09-4
1,5-DIHYDRO-1-(3-METHYLPHENYL)-4H-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE
Name1,5-DIHYDRO-1-(3-METHYLPHENYL)-4H-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE
1Identification
【Name】
1,5-DIHYDRO-1-(3-METHYLPHENYL)-4H-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE
【CAS】
【MDL】
MFCD11207432
【English Synonyms】
【Formula】
C12 H10 N4 O
【MolWeight】
226.238
【Inchi】
InChI=1S/C12H10N4O/c1-8-3-2-4-9(5-8)16-11-10(6-15-16)12(17)14-7-13-11/h2-7H,1H3,(H,13,14,17)
【InChIKey】
InChIKey=SOGRRZBOUJOGPU-UHFFFAOYSA-N
【SMILES】
Cc1cccc(c1)n2c3c(cn2)c(=O)[nH]cn3
【MOL File】
1,5-DIHYDRO-1-(3-MET….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
1,5-DIHYDRO-1-(3-METHYLPHENYL)-4H-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE.cml