7-bromo-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine

C12H15BrN4 — CID 117135581

IUPAC7-bromo-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESBrc1ccn2nc(CCN3CCCC3)nc2c1
InChIInChI=1S/C12H15BrN4/c13-10-3-8-17-12(9-10)14-11(15-17)4-7-16-5-1-2-6-16/h3,8-9H,1-2,4-7H2
InChIKeyPINFFQWZDWRQHE-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.13
Rot. Bonds3

About 7-bromo-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine

7-bromo-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 117135581) has the molecular formula C12H15BrN4 and a molecular weight of 295.18 g/mol. Its IUPAC name is 7-bromo-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-bromo-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID117135581
Molecular FormulaC12H15BrN4
Molecular Weight295.18 g/mol
Exact Mass294.05
IUPAC Name7-bromo-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESBrc1ccn2nc(CCN3CCCC3)nc2c1
InChIInChI=1S/C12H15BrN4/c13-10-3-8-17-12(9-10)14-11(15-17)4-7-16-5-1-2-6-16/h3,8-9H,1-2,4-7H2
InChIKeyPINFFQWZDWRQHE-UHFFFAOYSA-N
XLogP2.13
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-bromo-2-(2-piperazin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 116990026
7-methyl-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117135577
7-chloro-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 117135580
2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine-7-carboxylic acid
CID 117135584
7-bromo-2-(2-piperazin-1-ylpropyl)-[1,2,4]triazolo[1,5-a]pyridine
CID 116990080
methyl 2-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)acetate
CID 116990029
7-bromo-2-[(2-methylphenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117135083
7-bromo-2-[(3-fluorophenyl)methyl]-[1,2,4]triazolo[1,5-a]pyridine
CID 117134987
3-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylpropanoic acid
CID 116990016
[1-(7-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclobutyl]methanamine
CID 116990055
7-bromo-3-(2-piperidin-1-ylethyl)imidazo[1,5-a]pyridine
CID 117144852
2-(azepan-1-ylmethyl)-6-bromo-[1,2,4]triazolo[1,5-a]pyridine
CID 117257708

Frequently Asked Questions

What is the IUPAC name of 7-bromo-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7-bromo-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine (CID 117135581) is 7-bromo-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7-bromo-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7-bromo-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine is Brc1ccn2nc(CCN3CCCC3)nc2c1.
What is the InChIKey of 7-bromo-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is PINFFQWZDWRQHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4/c13-10-3-8-17-12(9-10)14-11(15-17)4-7-16-5-1-2-6-16/h3,8-9H,1-2,4-7H2.
What are the key properties of 7-bromo-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine?
7-bromo-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 295.18 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-2-(2-pyrrolidin-1-ylethyl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 117135581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).