135446-07-0
5H-1,2,4-TRIAZOLO(3,4-I)PURIN-5-ONE, 6,9-DIHYDRO-3,9-DIMETHYL-6-(PHENY LMETHYL)-
Name5H-1,2,4-TRIAZOLO(3,4-I)PURIN-5-ONE, 6,9-DIHYDRO-3,9-DIMETHYL-6-(PHENY LMETHYL)-
1Identification
【Name】
5H-1,2,4-TRIAZOLO(3,4-I)PURIN-5-ONE, 6,9-DIHYDRO-3,9-DIMETHYL-6-(PHENY LMETHYL)-
【CAS】
【MDL】
MFCD01761147
【English Synonyms】
【Formula】
C15 H14 N6 O
【MolWeight】
294.317
【Inchi】
InChI=1S/C15H14N6O/c1-10-17-18-14-12-13(16-9-19(12)2)20(15(22)21(10)14)8-11-6-4-3-5-7-11/h3-7,9H,8H2,1-2H3
【InChIKey】
InChIKey=VTLXSLBNOQBUGC-UHFFFAOYSA-N
【SMILES】
Cc1nnc2n1c(=O)n(c3c2n(cn3)C)Cc4ccccc4
【MOL File】
5H-1,2,4-TRIAZOLO(3,….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:7
XLogP3:0.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5H-1,2,4-TRIAZOLO(3,4-I)PURIN-5-ONE, 6,9-DIHYDRO-3,9-DIMETHYL-6-(PHENY LMETHYL)-.cml