1245646-89-2
7-BROMO-5-METHYL-N-(4-(2-(PYRROLIDIN-1-YL)ETHOXY)PHENYL)BENZO[E][1,2,4]TRIAZIN-3-AMINE
Name7-BROMO-5-METHYL-N-(4-(2-(PYRROLIDIN-1-YL)ETHOXY)PHENYL)BENZO[E][1,2,4]TRIAZIN-3-AMINE
1Identification
【Name】
7-BROMO-5-METHYL-N-(4-(2-(PYRROLIDIN-1-YL)ETHOXY)PHENYL)BENZO[E][1,2,4]TRIAZIN-3-AMINE
【CAS】
【MDL】
MFCD16877430
【English Synonyms】
【Formula】
C20 H22 Br N5 O
【MolWeight】
428.332
【Inchi】
InChI=1S/C20H22BrN5O/c1-14-12-15(21)13-18-19(14)23-20(25-24-18)22-16-4-6-17(7-5-16)27-11-10-26-8-2-3-9-26/h4-7,12-13H,2-3,8-11H2,1H3,(H,22,23,25)
【InChIKey】
InChIKey=RUXHJPVMMTZSGS-UHFFFAOYSA-N
【SMILES】
Cc1cc(cc2c1nc(nn2)Nc3ccc(cc3)OCCN4CCCC4)Br
【MOL File】
7-BROMO-5-METHYL-N-(….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:6
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
7-BROMO-5-METHYL-N-(4-(2-(PYRROLIDIN-1-YL)ETHOXY)PHENYL)BENZO[E][1,2,4]TRIAZIN-3-AMINE.cml