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Home > Pyridines > 1239848-75-9
1239848-75-9 | 8-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CAS No: 1239848-75-9 Catalog No: AG00HHGZ MDL No:MFCD14703517
Product Description
Catalog Number:
AG00HHGZ
Chemical Name:
8-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2H,3H-[1,2,4]triazolo[4,3-a]pyridin-3-one
CAS Number:
1239848-75-9
Molecular Formula:
C15H11N5O2
Molecular Weight:
293.2801
MDL Number:
MFCD14703517
IUPAC Name:
8-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-2H-[1,2,4]triazolo[4,3-a]pyridin-3-one
InChI:
InChI=1S/C15H11N5O2/c1-9-4-2-5-10(8-9)12-16-14(22-19-12)11-6-3-7-20-13(11)17-18-15(20)21/h2-8H,1H3,(H,18,21)
InChI Key:
VTZCYSZIPPPKIS-UHFFFAOYSA-N
SMILES:
Cc1cccc(c1)c1noc(n1)c1cccn2c1n[nH]c2=O
Properties
Complexity:
570
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.091g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
293.286g/mol
Monoisotopic Mass:
293.091g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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