79538-90-2
2,4-DIHYDRO-4-[4-[4-(4-HYDROXYPHENYL)-1-PIPERAZINYL]PHENYL]-3H-1,2,4-TRIAZOL-3-ONE
Name2,4-DIHYDRO-4-[4-[4-(4-HYDROXYPHENYL)-1-PIPERAZINYL]PHENYL]-3H-1,2,4-TRIAZOL-3-ONE
1Identification
【Name】
2,4-DIHYDRO-4-[4-[4-(4-HYDROXYPHENYL)-1-PIPERAZINYL]PHENYL]-3H-1,2,4-TRIAZOL-3-ONE
【CAS】
【MDL】
MFCD11110356
【English Synonyms】
【Formula】
C18 H19 N5 O2
【MolWeight】
337.381
【Inchi】
InChI=1S/C18H19N5O2/c24-17-7-5-15(6-8-17)22-11-9-21(10-12-22)14-1-3-16(4-2-14)23-13-19-20-18(23)25/h1-8,13,24H,9-12H2,(H,20,25)
【InChIKey】
InChIKey=SROLAUXVBLEXLH-UHFFFAOYSA-N
【SMILES】
c1cc(ccc1n2cn[nH]c2=O)N3CCN(CC3)c4ccc(cc4)O
【MOL File】
2,4-DIHYDRO-4-[4-[4-….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:7
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2,4-DIHYDRO-4-[4-[4-(4-HYDROXYPHENYL)-1-PIPERAZINYL]PHENYL]-3H-1,2,4-TRIAZOL-3-ONE.cml