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3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine

3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine

Formula: C13H18BN3O2

SMILES: CC1=NN=C2C=CC(=CN12)B1OC(C)(C)C(C)(C)O1

IUPAC: 3-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine

InChI: InChI=1S/C13H18BN3O2/c1-9-15-16-11-7-6-10(8-17(9)11)14-18-12(2,3)13(4,5)19-14/h6-8H,1-5H3

Composition: C (60.26%), H (7.00%), B (4.17%), N (16.22%), O (12.35%)

Molar Mass: 259.12

Atom Count: 37

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 259.149207
Formal Charge 0
FSP3 0.54
Hetero Ring Count 3
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey RUGBGMBTPRKJJU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.25
Topological Polar Surface Area 48.65
Polarizability 27.84
Ring Count 3
Rotatable Bond Count 1

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97% <7 Days C13H18BN3O2 $168.30-$863.94$168.30$243.10$369.33$863.94
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