3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine

C13H18N4 — CID 141366766

IUPAC3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESC[C@@H]1CCC[C@H](C)N1c1nnc2ccccn12
InChIInChI=1S/C13H18N4/c1-10-6-5-7-11(2)17(10)13-15-14-12-8-3-4-9-16(12)13/h3-4,8-11H,5-7H2,1-2H3/t10-,11+
InChIKeyHVNIPYFQYNERGL-PHIMTYICSA-N
MW230.31 g/mol
LogP2.50
Rot. Bonds1

About 3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine

3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 141366766) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is 3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID141366766
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine
SMILESC[C@@H]1CCC[C@H](C)N1c1nnc2ccccn12
InChIInChI=1S/C13H18N4/c1-10-6-5-7-11(2)17(10)13-15-14-12-8-3-4-9-16(12)13/h3-4,8-11H,5-7H2,1-2H3/t10-,11+
InChIKeyHVNIPYFQYNERGL-PHIMTYICSA-N
XLogP2.50
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

3-[(2S)-2-methylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 121283686
3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridin-6-ol
CID 144753470
8-chloro-3-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyrazine
CID 139295709
1-cyclopropyl-3-[4-[[3-(2,6-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]oxy]-1,2,3,4-tetrahydronaphthalen-1-yl]urea
CID 123825111
3-(4-piperidin-4-ylpiperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 155507234
3-piperidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 24711632
1-[(2R)-2-methylpiperidin-1-yl]-2-([1,2,4]triazolo[4,3-a]pyridin-3-yloxy)ethanone
CID 9355843
1-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]ethane-1,2-diol
CID 137337341
3-[(4S)-3,3-dimethyl-4-phenylpyrrolidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 126453864
3-(cyclohexylmethylsulfanyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 172905900
(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexan-1-amine
CID 175891290
ethane;3-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 91210925

Frequently Asked Questions

What is the IUPAC name of 3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine (CID 141366766) is 3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine is C[C@@H]1CCC[C@H](C)N1c1nnc2ccccn12.
What is the InChIKey of 3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is HVNIPYFQYNERGL-PHIMTYICSA-N. The full InChI is InChI=1S/C13H18N4/c1-10-6-5-7-11(2)17(10)13-15-14-12-8-3-4-9-16(12)13/h3-4,8-11H,5-7H2,1-2H3/t10-,11+.
What are the key properties of 3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine?
3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 230.31 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R,6S)-2,6-dimethylpiperidin-1-yl]-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 141366766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).