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Home > Pyridines > 1291486-98-0
1291486-98-0 | 8-(azepan-1-ylsulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
CAS No: 1291486-98-0 Catalog No: AG00HRX4 MDL No:MFCD18804065
Product Description
Catalog Number:
AG00HRX4
Chemical Name:
8-(azepan-1-ylsulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
CAS Number:
1291486-98-0
Molecular Formula:
C12H16N4O3S
Molecular Weight:
296.3454
MDL Number:
MFCD18804065
IUPAC Name:
8-(azepan-1-ylsulfonyl)-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
InChI:
InChI=1S/C12H16N4O3S/c17-12-14-13-11-10(6-5-9-16(11)12)20(18,19)15-7-3-1-2-4-8-15/h5-6,9H,1-4,7-8H2,(H,14,17)
InChI Key:
COGOWFLGAIPYKY-UHFFFAOYSA-N
SMILES:
O=c1[nH]nc2n1cccc2S(=O)(=O)N1CCCCCC1
Properties
Complexity:
607
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:
0.6
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