7-(2H-1,3-benzodioxol-5-yl)-2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile

7-(2H-1,3-benzodioxol-5-yl)-2-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine-8-carbonitrile

CAS: 860650-24-4

Formula: C18H16N4O2

SMILES: CC(C)(C)C1=NN2C=CC(C3=CC4=C(OCO4)C=C3)=C(C#N)C2=N1

IUPAC: 7-(2H-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

Composition: C (67.49%), H (5.03%), N (17.49%), O (9.99%)

Molar Mass: 320.352

Atom Count: 40

Heavy Atom Count: 24

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	320.127325771
Formal Charge	0
FSP3	0.28
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	XWMPTKHESCYICL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	99.7
Topological Polar Surface Area	72.44
Polarizability	34.93
Ring Count	4
Rotatable Bond Count	2

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90%	<2 Days	860650-24-4		$51.35-$524.40$51.35$63.37$86.31$524.40