6-chloro-3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine

C12H15ClN4 — CID 117139379

IUPAC6-chloro-3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1ccc2nnc(CC3CCCNC3)n2c1
InChIInChI=1S/C12H15ClN4/c13-10-3-4-11-15-16-12(17(11)8-10)6-9-2-1-5-14-7-9/h3-4,8-9,14H,1-2,5-7H2
InChIKeyKPJSYIHUOPOASY-UHFFFAOYSA-N
MW250.73 g/mol
LogP1.92
Rot. Bonds2

About 6-chloro-3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine

6-chloro-3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 117139379) has the molecular formula C12H15ClN4 and a molecular weight of 250.73 g/mol. Its IUPAC name is 6-chloro-3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-chloro-3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID117139379
Molecular FormulaC12H15ClN4
Molecular Weight250.73 g/mol
Exact Mass250.10
IUPAC Name6-chloro-3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESClc1ccc2nnc(CC3CCCNC3)n2c1
InChIInChI=1S/C12H15ClN4/c13-10-3-4-11-15-16-12(17(11)8-10)6-9-2-1-5-14-7-9/h3-4,8-9,14H,1-2,5-7H2
InChIKeyKPJSYIHUOPOASY-UHFFFAOYSA-N
XLogP1.92
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.73
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-chloro-3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

methyl 3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 117140275
3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 62690462
[3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 117143329
7-chloro-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054647
3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrimidine
CID 62690629
3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-5-carbaldehyde
CID 117141091
(6-chloro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanethiol
CID 117257171
6-chloro-3-pyrrolidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 84750911
6-chloro-3-(pyrrolidin-3-ylmethyl)imidazo[1,5-a]pyridine-1-carboxylic acid
CID 117253630
6-chloro-3-[5-(pyrrolidin-3-ylmethyl)-2-pyridinyl]imidazo[1,2-a]pyridine
CID 132649098
3-[(4-chloro-2,6-difluorophenyl)methyl]piperidine
CID 84802944
2-[(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]morpholine
CID 66434028

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-chloro-3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 117139379) is 6-chloro-3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-chloro-3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-chloro-3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine is Clc1ccc2nnc(CC3CCCNC3)n2c1.
What is the InChIKey of 6-chloro-3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is KPJSYIHUOPOASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4/c13-10-3-4-11-15-16-12(17(11)8-10)6-9-2-1-5-14-7-9/h3-4,8-9,14H,1-2,5-7H2.
What are the key properties of 6-chloro-3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine?
6-chloro-3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 250.73 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 117139379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).