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6-bromo-3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine

6-bromo-3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine

CAS: 876372-87-1

Formula: C10H12BrN3

SMILES: CC(C)(C)C1=NN=C2C=CC(Br)=CN12

IUPAC: 6-bromo-3-tert-butyl-[1,2,4]triazolo[4,3-a]pyridine

InChI: InChI=1S/C10H12BrN3/c1-10(2,3)9-13-12-8-5-4-7(11)6-14(8)9/h4-6H,1-3H3

Composition: C (47.26%), H (4.76%), Br (31.44%), N (16.54%)

Molar Mass: 254.131

Atom Count: 26

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 253.02146
Formal Charge 0
FSP3 0.4
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey QWESYQIJNLIFRH-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.92
Topological Polar Surface Area 30.19
Polarizability 22.5
Ring Count 2
Rotatable Bond Count 1

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