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Home > Pyridines > 1291834-57-5
1291834-57-5 | 6-[(4-methylpiperidin-1-yl)sulfonyl][1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
CAS No: 1291834-57-5 Catalog No: AG00HRXE MDL No:MFCD18788421
Product Description
Catalog Number:
AG00HRXE
Chemical Name:
6-[(4-methylpiperidin-1-yl)sulfonyl][1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
CAS Number:
1291834-57-5
Molecular Formula:
C12H16N4O3S
Molecular Weight:
296.3454
MDL Number:
MFCD18788421
IUPAC Name:
6-(4-methylpiperidin-1-yl)sulfonyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
InChI:
InChI=1S/C12H16N4O3S/c1-9-4-6-15(7-5-9)20(18,19)10-2-3-11-13-14-12(17)16(11)8-10/h2-3,8-9H,4-7H2,1H3,(H,14,17)
InChI Key:
QHMXMSCVMVZHOO-UHFFFAOYSA-N
SMILES:
CC1CCN(CC1)S(=O)(=O)c1ccc2n(c1)c(=O)[nH]n2
Properties
Complexity:
622
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
296.094g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
296.345g/mol
Monoisotopic Mass:
296.094g/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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