89852-92-6
1-ETHYL-1H,4H,5H-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE
Name1-ETHYL-1H,4H,5H-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE
1Identification
【Name】
1-ETHYL-1H,4H,5H-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE
【CAS】
【MDL】
MFCD14620003
【English Synonyms】
【Formula】
C7 H8 N4 O
【MolWeight】
164.167
【Inchi】
InChI=1S/C7H8N4O/c1-2-11-6-5(3-10-11)7(12)9-4-8-6/h3-4H,2H2,1H3,(H,8,9,12)
【InChIKey】
InChIKey=DKVJRZYMFJNVOD-UHFFFAOYSA-N
【SMILES】
CCn1c2c(cn1)c(=O)[nH]cn2
【MOL File】
1-ETHYL-1H,4H,5H-PYR….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
1-ETHYL-1H,4H,5H-PYRAZOLO[3,4-D]PYRIMIDIN-4-ONE.cml