7-chloro-6-(2,2,6,6-tetradeuteriopiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine

C11H13ClN4 — CID 167525561

IUPAC7-chloro-6-(2,2,6,6-tetradeuteriopiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILES[2H]C1([2H])CC(c2cn3ncnc3cc2Cl)CC([2H])([2H])N1
InChIInChI=1S/C11H13ClN4/c12-10-5-11-14-7-15-16(11)6-9(10)8-1-3-13-4-2-8/h5-8,13H,1-4H2/i3D2,4D2
InChIKeyLQTKWIAVCABFKS-KHORGVISSA-N
MW240.73 g/mol
LogP1.85
Rot. Bonds1

About 7-chloro-6-(2,2,6,6-tetradeuteriopiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine

7-chloro-6-(2,2,6,6-tetradeuteriopiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 167525561) has the molecular formula C11H13ClN4 and a molecular weight of 240.73 g/mol. Its IUPAC name is 7-chloro-6-(2,2,6,6-tetradeuteriopiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name7-chloro-6-(2,2,6,6-tetradeuteriopiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID167525561
Molecular FormulaC11H13ClN4
Molecular Weight240.73 g/mol
Exact Mass240.11
IUPAC Name7-chloro-6-(2,2,6,6-tetradeuteriopiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILES[2H]C1([2H])CC(c2cn3ncnc3cc2Cl)CC([2H])([2H])N1
InChIInChI=1S/C11H13ClN4/c12-10-5-11-14-7-15-16(11)6-9(10)8-1-3-13-4-2-8/h5-8,13H,1-4H2/i3D2,4D2
InChIKeyLQTKWIAVCABFKS-KHORGVISSA-N
XLogP1.85
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-(2,2,6,6-tetradeuteriopiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 7-chloro-6-(2,2,6,6-tetradeuteriopiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine (CID 167525561) is 7-chloro-6-(2,2,6,6-tetradeuteriopiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 7-chloro-6-(2,2,6,6-tetradeuteriopiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 7-chloro-6-(2,2,6,6-tetradeuteriopiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine is [2H]C1([2H])CC(c2cn3ncnc3cc2Cl)CC([2H])([2H])N1.
What is the InChIKey of 7-chloro-6-(2,2,6,6-tetradeuteriopiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is LQTKWIAVCABFKS-KHORGVISSA-N. The full InChI is InChI=1S/C11H13ClN4/c12-10-5-11-14-7-15-16(11)6-9(10)8-1-3-13-4-2-8/h5-8,13H,1-4H2/i3D2,4D2.
What are the key properties of 7-chloro-6-(2,2,6,6-tetradeuteriopiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine?
7-chloro-6-(2,2,6,6-tetradeuteriopiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 240.73 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-(2,2,6,6-tetradeuteriopiperidin-4-yl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 167525561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).