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1856778-43-2 | 5-bromo-N-(4-methyl-4H-1,2,4-triazol-3-yl)pyridine-2-carboxamide
CAS No: 1856778-43-2 Catalog No: AG01ELQG MDL No:
Product Description
Catalog Number:
AG01ELQG
Chemical Name:
5-bromo-N-(4-methyl-4H-1,2,4-triazol-3-yl)pyridine-2-carboxamide
CAS Number:
1856778-43-2
Molecular Formula:
C9H8BrN5O
Molecular Weight:
282.0967
IUPAC Name:
5-bromo-N-(4-methyl-1,2,4-triazol-3-yl)pyridine-2-carboxamide
InChI:
InChI=1S/C9H8BrN5O/c1-15-5-12-14-9(15)13-8(16)7-3-2-6(10)4-11-7/h2-5H,1H3,(H,13,14,16)
InChI Key:
YENKGLSUMWJXPX-UHFFFAOYSA-N
SMILES:
Brc1ccc(nc1)C(=O)Nc1nncn1C
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
280.991g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.101g/mol
Monoisotopic Mass:
280.991g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5
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