1-ethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidin-4-amine

C15H23N5 — CID 43230936

IUPAC1-ethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidin-4-amine
SMILESCCN1CCC(NC(C)c2nnc3ccccn23)CC1
InChIInChI=1S/C15H23N5/c1-3-19-10-7-13(8-11-19)16-12(2)15-18-17-14-6-4-5-9-20(14)15/h4-6,9,12-13,16H,3,7-8,10-11H2,1-2H3
InChIKeyXBMHCDYQUZPDAX-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.86
Rot. Bonds4

About 1-ethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidin-4-amine

1-ethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidin-4-amine (PubChem CID 43230936) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 1-ethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidin-4-amine.

Molecular Properties

Compound Name1-ethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidin-4-amine
PubChem CID43230936
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name1-ethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidin-4-amine
SMILESCCN1CCC(NC(C)c2nnc3ccccn23)CC1
InChIInChI=1S/C15H23N5/c1-3-19-10-7-13(8-11-19)16-12(2)15-18-17-14-6-4-5-9-20(14)15/h4-6,9,12-13,16H,3,7-8,10-11H2,1-2H3
InChIKeyXBMHCDYQUZPDAX-UHFFFAOYSA-N
XLogP1.86
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidin-4-amine?
The IUPAC name of 1-ethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidin-4-amine (CID 43230936) is 1-ethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidin-4-amine.
What is the SMILES notation for 1-ethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidin-4-amine?
The canonical SMILES for 1-ethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidin-4-amine is CCN1CCC(NC(C)c2nnc3ccccn23)CC1.
What is the InChIKey of 1-ethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidin-4-amine?
The InChIKey is XBMHCDYQUZPDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-3-19-10-7-13(8-11-19)16-12(2)15-18-17-14-6-4-5-9-20(14)15/h4-6,9,12-13,16H,3,7-8,10-11H2,1-2H3.
What are the key properties of 1-ethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidin-4-amine?
1-ethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidin-4-amine has a molecular weight of 273.38 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidin-4-amine is sourced from PubChem (CID 43230936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).