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89010-42-4 | 1H-1,2,4-Triazole-3-carboxamide, 1,5-bis(3,4-dimethylphenyl)-
CAS No: 89010-42-4 Catalog No: AG0042V6 MDL No:
Product Description
Catalog Number:
AG0042V6
Chemical Name:
1H-1,2,4-Triazole-3-carboxamide, 1,5-bis(3,4-dimethylphenyl)-
CAS Number:
89010-42-4
Molecular Formula:
C19H20N4O
Molecular Weight:
320.3883
IUPAC Name:
1,5-bis(3,4-dimethylphenyl)-1,2,4-triazole-3-carboxamide
InChI:
InChI=1S/C19H20N4O/c1-11-5-7-15(9-13(11)3)19-21-18(17(20)24)22-23(19)16-8-6-12(2)14(4)10-16/h5-10H,1-4H3,(H2,20,24)
InChI Key:
GFMJGKMUFUCFMC-UHFFFAOYSA-N
SMILES:
NC(=O)c1nn(c(n1)c1ccc(c(c1)C)C)c1ccc(c(c1)C)C
Properties
Complexity:
457
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.164g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.396g/mol
Monoisotopic Mass:
320.164g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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