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Home > Pyridines > 860650-47-1
860650-47-1 | 7-(2H-1,3-benzodioxol-5-yl)-2-cyclohexyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
CAS No: 860650-47-1 Catalog No: AG00INJN MDL No:MFCD03787478
Product Description
Catalog Number:
AG00INJN
Chemical Name:
7-(2H-1,3-benzodioxol-5-yl)-2-cyclohexyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
CAS Number:
860650-47-1
Molecular Formula:
C20H18N4O2
Molecular Weight:
346.3825
MDL Number:
MFCD03787478
IUPAC Name:
7-(1,3-benzodioxol-5-yl)-2-cyclohexyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
InChI:
InChI=1S/C20H18N4O2/c21-11-16-15(14-6-7-17-18(10-14)26-12-25-17)8-9-24-20(16)22-19(23-24)13-4-2-1-3-5-13/h6-10,13H,1-5,12H2
InChI Key:
IVNXISBRTKWUFC-UHFFFAOYSA-N
SMILES:
N#Cc1c(ccn2c1nc(n2)C1CCCCC1)c1ccc2c(c1)OCO2
Properties
Complexity:
557
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.143g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.39g/mol
Monoisotopic Mass:
346.143g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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