861208-15-3
2-(CYCLOPENTYLSULFANYL)-5,7-DIMETHYL[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE
Name2-(CYCLOPENTYLSULFANYL)-5,7-DIMETHYL[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE
1Identification
【Name】
2-(CYCLOPENTYLSULFANYL)-5,7-DIMETHYL[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE
【CAS】
【MDL】
MFCD06496147
【English Synonyms】
【Formula】
C12 H16 N4 S
【MolWeight】
248.352
【Inchi】
InChI=1S/C12H16N4S/c1-8-7-9(2)16-11(13-8)14-12(15-16)17-10-5-3-4-6-10/h7,10H,3-6H2,1-2H3
【InChIKey】
InChIKey=FFYSYIVJVNSDFR-UHFFFAOYSA-N
【SMILES】
Cc1cc(n2c(n1)nc(n2)SC3CCCC3)C
【MOL File】
2-(CYCLOPENTYLSULFAN….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:0
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(CYCLOPENTYLSULFANYL)-5,7-DIMETHYL[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE.cml