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89010-14-0 | 1H-1,2,4-Triazole-3-carboxamide, 1,5-bis(3-methylphenyl)-
CAS No: 89010-14-0 Catalog No: AG0042V7 MDL No:
Product Description
Catalog Number:
AG0042V7
Chemical Name:
1H-1,2,4-Triazole-3-carboxamide, 1,5-bis(3-methylphenyl)-
CAS Number:
89010-14-0
Molecular Formula:
C17H16N4O
Molecular Weight:
292.3351
IUPAC Name:
1,5-bis(3-methylphenyl)-1,2,4-triazole-3-carboxamide
InChI:
InChI=1S/C17H16N4O/c1-11-5-3-7-13(9-11)17-19-16(15(18)22)20-21(17)14-8-4-6-12(2)10-14/h3-10H,1-2H3,(H2,18,22)
InChI Key:
DCUDDRNAGVIJQO-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)n1nc(nc1c1cccc(c1)C)C(=O)N
Properties
Complexity:
402
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
292.132g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
292.342g/mol
Monoisotopic Mass:
292.132g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
73.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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