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

C12H15BrN4 — CID 117146253

IUPAC8-bromo-3-(1-ethylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCN1CCC(c2nnc3c(Br)cccn23)C1
InChIInChI=1S/C12H15BrN4/c1-2-16-7-5-9(8-16)11-14-15-12-10(13)4-3-6-17(11)12/h3-4,6,9H,2,5,7-8H2,1H3
InChIKeySFOHQFQJVWIZGA-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.30
Rot. Bonds2

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

8-bromo-3-(1-ethylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117146253) has the molecular formula C12H15BrN4 and a molecular weight of 295.18 g/mol. Its IUPAC name is 8-bromo-3-(1-ethylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name8-bromo-3-(1-ethylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117146253
Molecular FormulaC12H15BrN4
Molecular Weight295.18 g/mol
Exact Mass294.05
IUPAC Name8-bromo-3-(1-ethylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCCN1CCC(c2nnc3c(Br)cccn23)C1
InChIInChI=1S/C12H15BrN4/c1-2-16-7-5-9(8-16)11-14-15-12-10(13)4-3-6-17(11)12/h3-4,6,9H,2,5,7-8H2,1H3
InChIKeySFOHQFQJVWIZGA-UHFFFAOYSA-N
XLogP2.30
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

8-bromo-3-(1-ethylpiperidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117146481
3-(1-ethylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-ol
CID 117146249
8-bromo-3-cyclohexyl-[1,2,4]triazolo[4,3-a]pyridine
CID 15754782
methyl 3-(1-ethylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117147420
8-bromo-2-(1-ethylpiperidin-3-yl)imidazo[1,2-a]pyridine
CID 117136361
[3-(1-methylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-yl]methanamine
CID 117145672
8-chloro-3-[(1-ethylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117146365
3-(1-ethylpiperidin-4-yl)imidazo[1,5-a]pyridin-8-ol
CID 117146296
3-(1-propan-2-ylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 117146304
4-bromo-6-(1-ethylpyrrolidin-3-yl)pyridazin-3-amine
CID 117105094
3-(1-ethylpiperidin-3-yl)imidazo[1,5-a]pyridin-8-amine
CID 117146466
3-(1-ethylpiperidin-4-yl)imidazo[1,5-a]pyridin-8-amine
CID 117146294

Frequently Asked Questions

What is the IUPAC name of 8-bromo-3-(1-ethylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 8-bromo-3-(1-ethylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine (CID 117146253) is 8-bromo-3-(1-ethylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 8-bromo-3-(1-ethylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 8-bromo-3-(1-ethylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine is CCN1CCC(c2nnc3c(Br)cccn23)C1.
What is the InChIKey of 8-bromo-3-(1-ethylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is SFOHQFQJVWIZGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4/c1-2-16-7-5-9(8-16)11-14-15-12-10(13)4-3-6-17(11)12/h3-4,6,9H,2,5,7-8H2,1H3.
What are the key properties of 8-bromo-3-(1-ethylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine?
8-bromo-3-(1-ethylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 295.18 g/mol, XLogP of 2.30, 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-ethylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117146253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).