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

C11H14BrN3 — CID 63203897

IUPAC5-(2-bromobutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCC(Br)Cc1cc(C)cc2ncnn12
InChIInChI=1S/C11H14BrN3/c1-3-9(12)6-10-4-8(2)5-11-13-7-14-15(10)11/h4-5,7,9H,3,6H2,1-2H3
InChIKeyIWGAZSVTZSRXCS-UHFFFAOYSA-N
MW268.16 g/mol
LogP2.75
Rot. Bonds3

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

5-(2-bromobutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 63203897) has the molecular formula C11H14BrN3 and a molecular weight of 268.16 g/mol. Its IUPAC name is 5-(2-bromobutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-(2-bromobutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID63203897
Molecular FormulaC11H14BrN3
Molecular Weight268.16 g/mol
Exact Mass267.04
IUPAC Name5-(2-bromobutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCC(Br)Cc1cc(C)cc2ncnn12
InChIInChI=1S/C11H14BrN3/c1-3-9(12)6-10-4-8(2)5-11-13-7-14-15(10)11/h4-5,7,9H,3,6H2,1-2H3
InChIKeyIWGAZSVTZSRXCS-UHFFFAOYSA-N
XLogP2.75
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.16
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-bromobutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-(2-bromobutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine (CID 63203897) is 5-(2-bromobutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-(2-bromobutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-(2-bromobutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine is CCC(Br)Cc1cc(C)cc2ncnn12.
What is the InChIKey of 5-(2-bromobutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is IWGAZSVTZSRXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN3/c1-3-9(12)6-10-4-8(2)5-11-13-7-14-15(10)11/h4-5,7,9H,3,6H2,1-2H3.
What are the key properties of 5-(2-bromobutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine?
5-(2-bromobutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 268.16 g/mol, XLogP of 2.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromobutyl)-7-methyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 63203897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).