8-bromo-3-(1-ethylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine

C13H17BrN4 — CID 117146481

IUPAC8-bromo-3-(1-ethylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCN1CCCC(c2nnc3c(Br)cccn23)C1
InChIInChI=1S/C13H17BrN4/c1-2-17-7-3-5-10(9-17)12-15-16-13-11(14)6-4-8-18(12)13/h4,6,8,10H,2-3,5,7,9H2,1H3
InChIKeyLCKFZEKWWQZIAR-UHFFFAOYSA-N
MW309.21 g/mol
LogP2.69
Rot. Bonds2

About 8-bromo-3-(1-ethylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine

8-bromo-3-(1-ethylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117146481) has the molecular formula C13H17BrN4 and a molecular weight of 309.21 g/mol. Its IUPAC name is 8-bromo-3-(1-ethylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-bromo-3-(1-ethylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117146481
Molecular FormulaC13H17BrN4
Molecular Weight309.21 g/mol
Exact Mass308.06
IUPAC Name8-bromo-3-(1-ethylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCN1CCCC(c2nnc3c(Br)cccn23)C1
InChIInChI=1S/C13H17BrN4/c1-2-17-7-3-5-10(9-17)12-15-16-13-11(14)6-4-8-18(12)13/h4,6,8,10H,2-3,5,7,9H2,1H3
InChIKeyLCKFZEKWWQZIAR-UHFFFAOYSA-N
XLogP2.69
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 8-bromo-3-(1-ethylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-bromo-3-(1-ethylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146253
8-bromo-3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyridine
CID 15754782
3-(1-ethylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117146249
8-bromo-2-(1-ethylpiperidin-3-yl)imidazo[1,2-a]pyridine
CID 117136361
3-(1-ethylpiperidin-3-yl)imidazo[1,5-a]pyridin-8-amine
CID 117146466
methyl 3-(1-ethylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117147420
3-(1-ethylpyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117146542
3-[(3S)-1-[(1-methylsulfanylcyclopropyl)methyl]piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 100624676
[3-[(1-ethylpiperidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine
CID 117145787
1-ethyl-3-[4-methyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]piperidine
CID 70786765
4-bromo-6-(1-ethylpiperidin-3-yl)-3-methoxypyridazine
CID 117105672
2-methyl-5-[[(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]methyl]-1,3,4-thiadiazole
CID 125136306

Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-(1-ethylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-bromo-3-(1-ethylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine (CID 117146481) is 8-bromo-3-(1-ethylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-bromo-3-(1-ethylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-bromo-3-(1-ethylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine is CCN1CCCC(c2nnc3c(Br)cccn23)C1.
What is the InChIKey of 8-bromo-3-(1-ethylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is LCKFZEKWWQZIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4/c1-2-17-7-3-5-10(9-17)12-15-16-13-11(14)6-4-8-18(12)13/h4,6,8,10H,2-3,5,7,9H2,1H3.
What are the key properties of 8-bromo-3-(1-ethylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine?
8-bromo-3-(1-ethylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 309.21 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-bromo-3-(1-ethylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117146481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).