5-bromo-2-(2,2-dimethylpropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine

C12H16BrN3 — CID 165482562

IUPAC5-bromo-2-(2,2-dimethylpropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(Br)n2nc(CC(C)(C)C)nc2c1
InChIInChI=1S/C12H16BrN3/c1-8-5-9(13)16-11(6-8)14-10(15-16)7-12(2,3)4/h5-6H,7H2,1-4H3
InChIKeyWUENGCANNWITEJ-UHFFFAOYSA-N
MW282.19 g/mol
LogP3.39
Rot. Bonds1

About 5-bromo-2-(2,2-dimethylpropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine

5-bromo-2-(2,2-dimethylpropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 165482562) has the molecular formula C12H16BrN3 and a molecular weight of 282.19 g/mol. Its IUPAC name is 5-bromo-2-(2,2-dimethylpropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-bromo-2-(2,2-dimethylpropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID165482562
Molecular FormulaC12H16BrN3
Molecular Weight282.19 g/mol
Exact Mass281.05
IUPAC Name5-bromo-2-(2,2-dimethylpropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(Br)n2nc(CC(C)(C)C)nc2c1
InChIInChI=1S/C12H16BrN3/c1-8-5-9(13)16-11(6-8)14-10(15-16)7-12(2,3)4/h5-6H,7H2,1-4H3
InChIKeyWUENGCANNWITEJ-UHFFFAOYSA-N
XLogP3.39
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.19
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2,2-dimethylpropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-bromo-2-(2,2-dimethylpropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine (CID 165482562) is 5-bromo-2-(2,2-dimethylpropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-bromo-2-(2,2-dimethylpropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-bromo-2-(2,2-dimethylpropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine is Cc1cc(Br)n2nc(CC(C)(C)C)nc2c1.
What is the InChIKey of 5-bromo-2-(2,2-dimethylpropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is WUENGCANNWITEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrN3/c1-8-5-9(13)16-11(6-8)14-10(15-16)7-12(2,3)4/h5-6H,7H2,1-4H3.
What are the key properties of 5-bromo-2-(2,2-dimethylpropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine?
5-bromo-2-(2,2-dimethylpropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 282.19 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2,2-dimethylpropyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 165482562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).