2-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethanamine

C12H20N4 — CID 83865943

IUPAC2-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethanamine
SMILESNCCC1CCCn2nc(C3CCC3)nc21
InChIInChI=1S/C12H20N4/c13-7-6-10-5-2-8-16-12(10)14-11(15-16)9-3-1-4-9/h9-10H,1-8,13H2
InChIKeyJHCHIRCIFRBDPT-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.77
Rot. Bonds3

About 2-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethanamine

2-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethanamine (PubChem CID 83865943) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethanamine.

Molecular Properties

Compound Name2-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethanamine
PubChem CID83865943
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name2-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethanamine
SMILESNCCC1CCCn2nc(C3CCC3)nc21
InChIInChI=1S/C12H20N4/c13-7-6-10-5-2-8-16-12(10)14-11(15-16)9-3-1-4-9/h9-10H,1-8,13H2
InChIKeyJHCHIRCIFRBDPT-UHFFFAOYSA-N
XLogP1.77
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethanamine?
The IUPAC name of 2-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethanamine (CID 83865943) is 2-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethanamine.
What is the SMILES notation for 2-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethanamine?
The canonical SMILES for 2-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethanamine is NCCC1CCCn2nc(C3CCC3)nc21.
What is the InChIKey of 2-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethanamine?
The InChIKey is JHCHIRCIFRBDPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c13-7-6-10-5-2-8-16-12(10)14-11(15-16)9-3-1-4-9/h9-10H,1-8,13H2.
What are the key properties of 2-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethanamine?
2-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethanamine has a molecular weight of 220.32 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)ethanamine is sourced from PubChem (CID 83865943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).