924846-75-3
7-METHYL-2-(TRIFLUOROMETHYL)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLIC ACID
Name7-METHYL-2-(TRIFLUOROMETHYL)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLIC ACID
pro_formulaC8 H5 F3 N4 O2
1Identification
【Name】
7-METHYL-2-(TRIFLUOROMETHYL)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD09439068
【中文同义词】
【EnglishSynonyms】
【pro_formula】
C8 H5 F3 N4 O2
【pro_molWeight】
246.148
【Inchi】
InChI=1S/C8H5F3N4O2/c1-3-4(5(16)17)2-12-7-13-6(8(9,10)11)14-15(3)7/h2H,1H3,(H,16,17)
【InChIKey】
InChIKey=XMZDVMZVCFFJNA-UHFFFAOYSA-N
【SMILES】
Cc1c(cnc2n1nc(n2)C(F)(F)F)C(=O)O
【MOL File】
7-METHYL-2-(TRIFLUOR….mol
2ChemicalProperties
【ComputedProperties】
pro_donors:1
pro_acceptors:6
XLogP3:0.0
Bulk/Fine:F
3MaterialMSDS
4CMLFile
7-METHYL-2-(TRIFLUOROMETHYL)[1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE-6-CARBOXYLIC ACID.cml