82619-88-3
2-(5-((1-METHYLETHYL)AMINO)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)PHENOL
Name2-(5-((1-METHYLETHYL)AMINO)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)PHENOL
1Identification
【Name】
2-(5-((1-METHYLETHYL)AMINO)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)PHENOL
【CAS】
【MDL】
MFCD01707276
【English Synonyms】
【Formula】
C17 H18 N4 O
【MolWeight】
294.356
【Inchi】
InChI=1S/C17H18N4O/c1-12(2)18-17-20-19-16(14-10-6-7-11-15(14)22)21(17)13-8-4-3-5-9-13/h3-12,22H,1-2H3,(H,18,20)
【InChIKey】
InChIKey=VNFSZTZTTZJGAX-UHFFFAOYSA-N
【SMILES】
CC(C)Nc1nnc(n1c2ccccc2)c3ccccc3O
【MOL File】
2-(5-((1-METHYLETHYL….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:5
XLogP3:4.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(5-((1-METHYLETHYL)AMINO)-4-PHENYL-4H-1,2,4-TRIAZOL-3-YL)PHENOL.cml