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Home > Pyridines > 1291486-82-2
1291486-82-2 | 8-(piperidine-1-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CAS No: 1291486-82-2 Catalog No: AG00J0QJ MDL No:MFCD18804062
Product Description
Catalog Number:
AG00J0QJ
Chemical Name:
8-(piperidine-1-sulfonyl)-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CAS Number:
1291486-82-2
Molecular Formula:
C11H14N4O3S
Molecular Weight:
282.3189
MDL Number:
MFCD18804062
IUPAC Name:
8-piperidin-1-ylsulfonyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
InChI:
InChI=1S/C11H14N4O3S/c16-11-13-12-10-9(5-4-8-15(10)11)19(17,18)14-6-2-1-3-7-14/h4-5,8H,1-3,6-7H2,(H,13,16)
InChI Key:
CYCUNAYNFLMAPC-UHFFFAOYSA-N
SMILES:
O=c1[nH]nc2n1cccc2S(=O)(=O)N1CCCCC1
Properties
Complexity:
594
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.079g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
282.318g/mol
Monoisotopic Mass:
282.079g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.2
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