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Home > Pyridines > 1291486-95-7
1291486-95-7 | 8-(pyrrolidin-1-ylsulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
CAS No: 1291486-95-7 Catalog No: AG00HRX3 MDL No:MFCD18804063
Product Description
Catalog Number:
AG00HRX3
Chemical Name:
8-(pyrrolidin-1-ylsulfonyl)[1,2,4]triazolo[4,3-a]pyridin-3(2H)-one
CAS Number:
1291486-95-7
Molecular Formula:
C10H12N4O3S
Molecular Weight:
268.2923
MDL Number:
MFCD18804063
IUPAC Name:
8-pyrrolidin-1-ylsulfonyl-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
InChI:
InChI=1S/C10H12N4O3S/c15-10-12-11-9-8(4-3-7-14(9)10)18(16,17)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H,12,15)
InChI Key:
AQWCUOJHUAIPEE-UHFFFAOYSA-N
SMILES:
O=c1[nH]nc2n1cccc2S(=O)(=O)N1CCCC1
Properties
Complexity:
579
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.063g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.291g/mol
Monoisotopic Mass:
268.063g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1
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