2-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanamine

C12H16N4 — CID 83866670

IUPAC2-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanamine
SMILESNCCc1cccc2nnc(C3CCC3)n12
InChIInChI=1S/C12H16N4/c13-8-7-10-5-2-6-11-14-15-12(16(10)11)9-3-1-4-9/h2,5-6,9H,1,3-4,7-8,13H2
InChIKeyBZLKDFDVEHWLJS-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.50
Rot. Bonds3

About 2-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanamine

2-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanamine (PubChem CID 83866670) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 2-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanamine.

Molecular Properties

Compound Name2-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanamine
PubChem CID83866670
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name2-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanamine
SMILESNCCc1cccc2nnc(C3CCC3)n12
InChIInChI=1S/C12H16N4/c13-8-7-10-5-2-6-11-14-15-12(16(10)11)9-3-1-4-9/h2,5-6,9H,1,3-4,7-8,13H2
InChIKeyBZLKDFDVEHWLJS-UHFFFAOYSA-N
XLogP1.50
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridine
CID 83900543
3-cyclopentyl-5-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 117142344
2-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-5-yl]ethanamine
CID 83866669
3-cyclohexyl-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine
CID 117140658
2-amino-2-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanol
CID 83888161
3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-5-carboxylic acid
CID 83686835
5-chloro-3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyrazine
CID 81442348
3-(1-ethylpiperidin-4-yl)-5-methoxy-[1,2,4]triazolo[4,3-a]pyridine
CID 117140421
(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexan-1-amine
CID 175891290
3-(thiolan-2-yl)-[1,2,4]triazolo[4,3-a]pyridin-5-amine
CID 117141546
2-(3-chloroimidazo[1,5-a]pyridin-5-yl)ethanamine
CID 83831117
2-(2-ethyl-3-methylimidazo[1,2-a]pyridin-5-yl)ethanamine
CID 83865889

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanamine?
The IUPAC name of 2-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanamine (CID 83866670) is 2-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanamine.
What is the SMILES notation for 2-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanamine?
The canonical SMILES for 2-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanamine is NCCc1cccc2nnc(C3CCC3)n12.
What is the InChIKey of 2-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanamine?
The InChIKey is BZLKDFDVEHWLJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c13-8-7-10-5-2-6-11-14-15-12(16(10)11)9-3-1-4-9/h2,5-6,9H,1,3-4,7-8,13H2.
What are the key properties of 2-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanamine?
2-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanamine has a molecular weight of 216.29 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclobutyl-[1,2,4]triazolo[4,3-a]pyridin-5-yl)ethanamine is sourced from PubChem (CID 83866670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).