5466-71-7
(4-AMINO-1-PHENYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL)ACETONITRILE
Name(4-AMINO-1-PHENYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL)ACETONITRILE
1Identification
【Name】
(4-AMINO-1-PHENYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL)ACETONITRILE
【CAS】
【MDL】
MFCD19707444
【English Synonyms】
【Formula】
C13 H10 N6
【MolWeight】
250.264
【Inchi】
InChI=1S/C13H10N6/c14-7-6-10-11-12(15)16-8-17-13(11)19(18-10)9-4-2-1-3-5-9/h1-5,8H,6H2,(H2,15,16,17)
【InChIKey】
InChIKey=NCVILFMSROPJJB-UHFFFAOYSA-N
【SMILES】
c1ccc(cc1)n2c3c(c(n2)CC#N)c(ncn3)N
【MOL File】
(4-AMINO-1-PHENYL-1H….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
(4-AMINO-1-PHENYL-1H-PYRAZOLO[3,4-D]PYRIMIDIN-3-YL)ACETONITRILE.cml