N-[[1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-4-yl]methyl]ethanamine

C14H20ClN5 — CID 80551837

IUPACN-[[1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(c2nc3ccc(Cl)cn3n2)CC1
InChIInChI=1S/C14H20ClN5/c1-2-16-9-11-5-7-19(8-6-11)14-17-13-4-3-12(15)10-20(13)18-14/h3-4,10-11,16H,2,5-9H2,1H3
InChIKeyJUMVSLKVGXYZIJ-UHFFFAOYSA-N
MW293.80 g/mol
LogP2.21
Rot. Bonds4

About N-[[1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-4-yl]methyl]ethanamine

N-[[1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-4-yl]methyl]ethanamine (PubChem CID 80551837) has the molecular formula C14H20ClN5 and a molecular weight of 293.80 g/mol. Its IUPAC name is N-[[1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-4-yl]methyl]ethanamine
PubChem CID80551837
Molecular FormulaC14H20ClN5
Molecular Weight293.80 g/mol
Exact Mass293.14
IUPAC NameN-[[1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-4-yl]methyl]ethanamine
SMILESCCNCC1CCN(c2nc3ccc(Cl)cn3n2)CC1
InChIInChI=1S/C14H20ClN5/c1-2-16-9-11-5-7-19(8-6-11)14-17-13-4-3-12(15)10-20(13)18-14/h3-4,10-11,16H,2,5-9H2,1H3
InChIKeyJUMVSLKVGXYZIJ-UHFFFAOYSA-N
XLogP2.21
TPSA45.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.80
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-4-yl]methyl]ethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-4-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-4-yl]methyl]ethanamine (CID 80551837) is N-[[1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-4-yl]methyl]ethanamine is CCNCC1CCN(c2nc3ccc(Cl)cn3n2)CC1.
What is the InChIKey of N-[[1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-4-yl]methyl]ethanamine?
The InChIKey is JUMVSLKVGXYZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN5/c1-2-16-9-11-5-7-19(8-6-11)14-17-13-4-3-12(15)10-20(13)18-14/h3-4,10-11,16H,2,5-9H2,1H3.
What are the key properties of N-[[1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-4-yl]methyl]ethanamine?
N-[[1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-4-yl]methyl]ethanamine has a molecular weight of 293.80 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(6-chloro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)piperidin-4-yl]methyl]ethanamine is sourced from PubChem (CID 80551837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).