6-chloro-2-piperidin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

C11H17ClN4 — CID 83964833

IUPAC6-chloro-2-piperidin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESClC1CCc2nc(C3CCCNC3)nn2C1
InChIInChI=1S/C11H17ClN4/c12-9-3-4-10-14-11(15-16(10)7-9)8-2-1-5-13-6-8/h8-9,13H,1-7H2
InChIKeyGJEYYWHAXREMOR-UHFFFAOYSA-N
MW240.74 g/mol
LogP1.30
Rot. Bonds1

About 6-chloro-2-piperidin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine

6-chloro-2-piperidin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 83964833) has the molecular formula C11H17ClN4 and a molecular weight of 240.74 g/mol. Its IUPAC name is 6-chloro-2-piperidin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-chloro-2-piperidin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID83964833
Molecular FormulaC11H17ClN4
Molecular Weight240.74 g/mol
Exact Mass240.11
IUPAC Name6-chloro-2-piperidin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
SMILESClC1CCc2nc(C3CCCNC3)nn2C1
InChIInChI=1S/C11H17ClN4/c12-9-3-4-10-14-11(15-16(10)7-9)8-2-1-5-13-6-8/h8-9,13H,1-7H2
InChIKeyGJEYYWHAXREMOR-UHFFFAOYSA-N
XLogP1.30
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.74
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 6-chloro-2-piperidin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Related Compounds

2-pyrrolidin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 117153779
6-methyl-2-pyrrolidin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117153777
2-pyrrolidin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ol
CID 117153781
2-piperidin-4-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-ol
CID 117153834
2-piperidin-3-yl-5,6-dihydro-[1,3]thiazolo[3,2-b][1,2,4]triazole 4,4-dioxide
CID 82664279
6-chloro-2-piperidin-3-yl-[1,2,4]triazolo[1,5-a]pyrimidine
CID 84798908
8-methyl-2-pyrrolidin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine
CID 117157636
3,5-di(piperidin-3-yl)-1,2,4-oxadiazole
CID 115077690
5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63024752
5-cyclopropyl-3-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 94939518
2-[(3R)-piperidin-3-yl]pyrimidine
CID 86328129
5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole;hydrochloride
CID 68965695

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-piperidin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-chloro-2-piperidin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine (CID 83964833) is 6-chloro-2-piperidin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-chloro-2-piperidin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-chloro-2-piperidin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is ClC1CCc2nc(C3CCCNC3)nn2C1.
What is the InChIKey of 6-chloro-2-piperidin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is GJEYYWHAXREMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4/c12-9-3-4-10-14-11(15-16(10)7-9)8-2-1-5-13-6-8/h8-9,13H,1-7H2.
What are the key properties of 6-chloro-2-piperidin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine?
6-chloro-2-piperidin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 240.74 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-piperidin-3-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 83964833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).