2-(7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine

C8H9BrN4 — CID 83867856

IUPAC2-(7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
SMILESNCCc1nnc2cc(Br)ccn12
InChIInChI=1S/C8H9BrN4/c9-6-2-4-13-7(1-3-10)11-12-8(13)5-6/h2,4-5H,1,3,10H2
InChIKeyHHTXLEUBENMPQV-UHFFFAOYSA-N
MW241.09 g/mol
LogP0.99
Rot. Bonds2

About 2-(7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine

2-(7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine (PubChem CID 83867856) has the molecular formula C8H9BrN4 and a molecular weight of 241.09 g/mol. Its IUPAC name is 2-(7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine.

Molecular Properties

Compound Name2-(7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
PubChem CID83867856
Molecular FormulaC8H9BrN4
Molecular Weight241.09 g/mol
Exact Mass240.00
IUPAC Name2-(7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
SMILESNCCc1nnc2cc(Br)ccn12
InChIInChI=1S/C8H9BrN4/c9-6-2-4-13-7(1-3-10)11-12-8(13)5-6/h2,4-5H,1,3,10H2
InChIKeyHHTXLEUBENMPQV-UHFFFAOYSA-N
XLogP0.99
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 79002399
7-bromo-3-[(4-chlorophenoxy)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 84611753
2-[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethanol
CID 117143193
3-[7-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]propan-1-ol
CID 117143189
7-bromo-3-(thian-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117144306
2-(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 82058702
(7-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanamine
CID 55266770
7-bromo-3-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 117144220
7-bromo-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine
CID 53393311
lithium 7-bromo-[1,2,4]triazolo[4,3-a]pyridine-3-carboxylate
CID 170633995
5-([1,2,4]triazolo[4,3-a]pyridin-3-yl)pentan-1-amine;hydrochloride
CID 56723920
methyl 3-(aminomethyl)-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylate
CID 117257309

Frequently Asked Questions

What is the IUPAC name of 2-(7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
The IUPAC name of 2-(7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine (CID 83867856) is 2-(7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine.
What is the SMILES notation for 2-(7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
The canonical SMILES for 2-(7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine is NCCc1nnc2cc(Br)ccn12.
What is the InChIKey of 2-(7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
The InChIKey is HHTXLEUBENMPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN4/c9-6-2-4-13-7(1-3-10)11-12-8(13)5-6/h2,4-5H,1,3,10H2.
What are the key properties of 2-(7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
2-(7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine has a molecular weight of 241.09 g/mol, XLogP of 0.99, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine is sourced from PubChem (CID 83867856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).