Computed Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.055g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
248.198g/mol
Monoisotopic Mass:
248.055g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
Synonyms
5-methyl-1-(4-nitrophenyl)-1H-1,2,4-triazole-3-carboxylic acid
1025-88-3
DTXSID80377666
HMS2598H08
ZINC167596
0634AA
ANW-55833
methylnitrophenyltriazolecarboxylicacid
MFCD00173063
SBB100381
AKOS005069617
RP14133
5-methyl-1-(4-nitrophenyl)-1,2,4-triazole-3-carboxylic Acid
12G-348S
AJ-16689
SMR000337811
AX8182118
TR-000637
FT-0680062
Z-2507
I04-4615
J-517720
5-methyl-1(4-nitrophenyl)-1h-1,2-4-triazole-3-carboxylic acid
AGPQLGNAAHYBPG-UHFFFAOYSA-N
5-methyl-1-(4-nitro-phenyl)-1H-[1,2,4]triazole-3-carboxylic acid
C10H8N4O4
CID2768762
5-Methyl-1-(4-nitrophenyl)-1H-1,2,4-triazole-3-carboxylicacid
AC1MCG2F
MLS000755431
SCHEMBL1820467
CHEMBL1466251
CTK4A1287
KS-00001SOX