5-bromo-3-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine

C10H12BrN3 — CID 83900881

IUPAC5-bromo-3-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)Cc1nnc2cccc(Br)n12
InChIInChI=1S/C10H12BrN3/c1-7(2)6-10-13-12-9-5-3-4-8(11)14(9)10/h3-5,7H,6H2,1-2H3
InChIKeyTZOFSIHJKWOXBV-UHFFFAOYSA-N
MW254.13 g/mol
LogP2.69
Rot. Bonds2

About 5-bromo-3-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine

5-bromo-3-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 83900881) has the molecular formula C10H12BrN3 and a molecular weight of 254.13 g/mol. Its IUPAC name is 5-bromo-3-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name5-bromo-3-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID83900881
Molecular FormulaC10H12BrN3
Molecular Weight254.13 g/mol
Exact Mass253.02
IUPAC Name5-bromo-3-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCC(C)Cc1nnc2cccc(Br)n12
InChIInChI=1S/C10H12BrN3/c1-7(2)6-10-13-12-9-5-3-4-8(11)14(9)10/h3-5,7H,6H2,1-2H3
InChIKeyTZOFSIHJKWOXBV-UHFFFAOYSA-N
XLogP2.69
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.13
LogP ≤ 52.69
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-3-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 5-bromo-3-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 83900881) is 5-bromo-3-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 5-bromo-3-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 5-bromo-3-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine is CC(C)Cc1nnc2cccc(Br)n12.
What is the InChIKey of 5-bromo-3-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is TZOFSIHJKWOXBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12BrN3/c1-7(2)6-10-13-12-9-5-3-4-8(11)14(9)10/h3-5,7H,6H2,1-2H3.
What are the key properties of 5-bromo-3-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine?
5-bromo-3-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 254.13 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 83900881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).