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116599-52-1 | 3H-1,2,3-Triazolo[4,5-b]pyridine-5-sulfonamide
CAS No: 116599-52-1 Catalog No: AG000CU4 MDL No:
Product Description
Catalog Number:
AG000CU4
Chemical Name:
3H-1,2,3-Triazolo[4,5-b]pyridine-5-sulfonamide
CAS Number:
116599-52-1
Molecular Formula:
C5H5N5O2S
Molecular Weight:
199.1905
IUPAC Name:
2H-triazolo[4,5-b]pyridine-5-sulfonamide
InChI:
InChI=1S/C5H5N5O2S/c6-13(11,12)4-2-1-3-5(7-4)9-10-8-3/h1-2H,(H2,6,11,12)(H,7,8,9,10)
InChI Key:
DHOMHNXWWGFVMX-UHFFFAOYSA-N
SMILES:
NS(=O)(=O)c1ccc2c(n1)[nH]nn2
Properties
Complexity:
286
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.016g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
199.188g/mol
Monoisotopic Mass:
199.016g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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