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89010-11-7 | 1H-1,2,4-Triazole-3-carboxamide, 5-(2-methylphenyl)-1-phenyl-
CAS No: 89010-11-7 Catalog No: AG0044NA MDL No:
Product Description
Catalog Number:
AG0044NA
Chemical Name:
1H-1,2,4-Triazole-3-carboxamide, 5-(2-methylphenyl)-1-phenyl-
CAS Number:
89010-11-7
Molecular Formula:
C16H14N4O
Molecular Weight:
278.3086
IUPAC Name:
5-(2-methylphenyl)-1-phenyl-1,2,4-triazole-3-carboxamide
InChI:
InChI=1S/C16H14N4O/c1-11-7-5-6-10-13(11)16-18-15(14(17)21)19-20(16)12-8-3-2-4-9-12/h2-10H,1H3,(H2,17,21)
InChI Key:
UOAYBPFQKCUPLX-UHFFFAOYSA-N
SMILES:
NC(=O)c1nn(c(n1)c1ccccc1C)c1ccccc1
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.117g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.315g/mol
Monoisotopic Mass:
278.117g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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