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Home > Pyridines > 860650-24-4
860650-24-4 | 7-(2H-1,3-benzodioxol-5-yl)-2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
CAS No: 860650-24-4 Catalog No: AG00IWBE MDL No:MFCD03787180
Product Description
Catalog Number:
AG00IWBE
Chemical Name:
7-(2H-1,3-benzodioxol-5-yl)-2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
CAS Number:
860650-24-4
Molecular Formula:
C18H16N4O2
Molecular Weight:
320.3452
MDL Number:
MFCD03787180
IUPAC Name:
7-(1,3-benzodioxol-5-yl)-2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile
InChI:
InChI=1S/C18H16N4O2/c1-18(2,3)17-20-16-13(9-19)12(6-7-22(16)21-17)11-4-5-14-15(8-11)24-10-23-14/h4-8H,10H2,1-3H3
InChI Key:
XWMPTKHESCYICL-UHFFFAOYSA-N
SMILES:
N#Cc1c(ccn2c1nc(n2)C(C)(C)C)c1ccc2c(c1)OCO2
Properties
Complexity:
525
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.127g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.352g/mol
Monoisotopic Mass:
320.127g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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