6-bromo-3-(4-methoxypyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine

C11H13BrN4O — CID 65349373

IUPAC6-bromo-3-(4-methoxypyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOC1CNC(c2nnc3ccc(Br)cn23)C1
InChIInChI=1S/C11H13BrN4O/c1-17-8-4-9(13-5-8)11-15-14-10-3-2-7(12)6-16(10)11/h2-3,6,8-9,13H,4-5H2,1H3
InChIKeyQIZBEDKCHMJXBZ-UHFFFAOYSA-N
MW297.16 g/mol
LogP1.54
Rot. Bonds2

About 6-bromo-3-(4-methoxypyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine

6-bromo-3-(4-methoxypyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 65349373) has the molecular formula C11H13BrN4O and a molecular weight of 297.16 g/mol. Its IUPAC name is 6-bromo-3-(4-methoxypyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-bromo-3-(4-methoxypyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID65349373
Molecular FormulaC11H13BrN4O
Molecular Weight297.16 g/mol
Exact Mass296.03
IUPAC Name6-bromo-3-(4-methoxypyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOC1CNC(c2nnc3ccc(Br)cn23)C1
InChIInChI=1S/C11H13BrN4O/c1-17-8-4-9(13-5-8)11-15-14-10-3-2-7(12)6-16(10)11/h2-3,6,8-9,13H,4-5H2,1H3
InChIKeyQIZBEDKCHMJXBZ-UHFFFAOYSA-N
XLogP1.54
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(4-methoxypyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-bromo-3-(4-methoxypyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine (CID 65349373) is 6-bromo-3-(4-methoxypyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-bromo-3-(4-methoxypyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-bromo-3-(4-methoxypyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine is COC1CNC(c2nnc3ccc(Br)cn23)C1.
What is the InChIKey of 6-bromo-3-(4-methoxypyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is QIZBEDKCHMJXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O/c1-17-8-4-9(13-5-8)11-15-14-10-3-2-7(12)6-16(10)11/h2-3,6,8-9,13H,4-5H2,1H3.
What are the key properties of 6-bromo-3-(4-methoxypyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine?
6-bromo-3-(4-methoxypyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 297.16 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(4-methoxypyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 65349373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).