198953-53-6
5-METHYL-2-(TRIFLUOROMETHYL)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7(4H)-ONE
Name5-METHYL-2-(TRIFLUOROMETHYL)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7(4H)-ONE
1Identification
【Name】
5-METHYL-2-(TRIFLUOROMETHYL)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7(4H)-ONE
【CAS】
【MDL】
MFCD01846630
【English Synonyms】
【Formula】
C7 H5 F3 N4 O
【MolWeight】
218.137
【Inchi】
InChI=1S/C7H5F3N4O/c1-3-2-4(15)14-6(11-3)12-5(13-14)7(8,9)10/h2H,1H3,(H,11,12,13)
【InChIKey】
InChIKey=RCFXSBDEUTWHMQ-UHFFFAOYSA-N
【SMILES】
Cc1cc(=O)n2c([nH]1)nc(n2)C(F)(F)F
【MOL File】
5-METHYL-2-(TRIFLUOR….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:5
XLogP3:1.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
5-METHYL-2-(TRIFLUOROMETHYL)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDIN-7(4H)-ONE.cml