54738-70-4
3-BROMO-1-METHYL-1H,4H,5H-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE
Name3-BROMO-1-METHYL-1H,4H,5H-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE
1Identification
【Name】
3-BROMO-1-METHYL-1H,4H,5H-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE
【CAS】
【MDL】
MFCD06661806
【English Synonyms】
【Formula】
C6 H5 Br N4 O
【MolWeight】
229.036
【Inchi】
InChI=1S/C6H5BrN4O/c1-11-5-3(4(7)10-11)6(12)9-2-8-5/h2H,1H3,(H,8,9,12)
【InChIKey】
InChIKey=MODBUWPKWKQQDO-UHFFFAOYSA-N
【SMILES】
Cn1c2c(c(=O)[nH]cn2)c(n1)Br
【MOL File】
3-BROMO-1-METHYL-1H,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
3-BROMO-1-METHYL-1H,4H,5H-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE.cml