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

C12H15BrN4 — CID 65348181

IUPAC3-(azepan-2-yl)-6-bromo-[1,2,4]triazolo[4,3-a]pyridine
SMILESBrc1ccc2nnc(C3CCCCCN3)n2c1
InChIInChI=1S/C12H15BrN4/c13-9-5-6-11-15-16-12(17(11)8-9)10-4-2-1-3-7-14-10/h5-6,8,10,14H,1-4,7H2
InChIKeyGWWNFDSFBZQCKC-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.70
Rot. Bonds1

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

3-(azepan-2-yl)-6-bromo-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 65348181) has the molecular formula C12H15BrN4 and a molecular weight of 295.18 g/mol. Its IUPAC name is 3-(azepan-2-yl)-6-bromo-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-(azepan-2-yl)-6-bromo-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID65348181
Molecular FormulaC12H15BrN4
Molecular Weight295.18 g/mol
Exact Mass294.05
IUPAC Name3-(azepan-2-yl)-6-bromo-[1,2,4]triazolo[4,3-a]pyridine
SMILESBrc1ccc2nnc(C3CCCCCN3)n2c1
InChIInChI=1S/C12H15BrN4/c13-9-5-6-11-15-16-12(17(11)8-9)10-4-2-1-3-7-14-10/h5-6,8,10,14H,1-4,7H2
InChIKeyGWWNFDSFBZQCKC-UHFFFAOYSA-N
XLogP2.70
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-3-piperidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 117139170
3-piperidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 117140198
6-fluoro-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 84750912
6-chloro-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 84750911
3-piperidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 24711632
3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 117140176
6-bromo-3-(oxan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117139131
6-bromo-3-(4-methoxypyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 65349373
6-bromo-3-(2,3-dihydro-1H-indol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 65347794
6-chloro-3-piperidin-2-yl-[1,2,4]triazolo[4,3-b]pyridazine
CID 84700446
6-bromo-3-(oxolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117139057
6-bromo-1-chloro-3-pyrrolidin-2-ylimidazo[1,5-a]pyridine
CID 84744079

Frequently Asked Questions

What is the IUPAC name of 3-(azepan-2-yl)-6-bromo-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-(azepan-2-yl)-6-bromo-[1,2,4]triazolo[4,3-a]pyridine (CID 65348181) is 3-(azepan-2-yl)-6-bromo-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-(azepan-2-yl)-6-bromo-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-(azepan-2-yl)-6-bromo-[1,2,4]triazolo[4,3-a]pyridine is Brc1ccc2nnc(C3CCCCCN3)n2c1.
What is the InChIKey of 3-(azepan-2-yl)-6-bromo-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is GWWNFDSFBZQCKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4/c13-9-5-6-11-15-16-12(17(11)8-9)10-4-2-1-3-7-14-10/h5-6,8,10,14H,1-4,7H2.
What are the key properties of 3-(azepan-2-yl)-6-bromo-[1,2,4]triazolo[4,3-a]pyridine?
3-(azepan-2-yl)-6-bromo-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 295.18 g/mol, XLogP of 2.70, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(azepan-2-yl)-6-bromo-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 65348181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).