methyl 2-piperidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate

C13H16N4O2 — CID 117131974

IUPACmethyl 2-piperidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2nc(C3CCCCN3)nn12
InChIInChI=1S/C13H16N4O2/c1-19-13(18)10-6-4-7-11-15-12(16-17(10)11)9-5-2-3-8-14-9/h4,6-7,9,14H,2-3,5,8H2,1H3
InChIKeyFCKMYOLEOZNCQV-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.33
Rot. Bonds2

About methyl 2-piperidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate

methyl 2-piperidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate (PubChem CID 117131974) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is methyl 2-piperidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-piperidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
PubChem CID117131974
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Namemethyl 2-piperidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
SMILESCOC(=O)c1cccc2nc(C3CCCCN3)nn12
InChIInChI=1S/C13H16N4O2/c1-19-13(18)10-6-4-7-11-15-12(16-17(10)11)9-5-2-3-8-14-9/h4,6-7,9,14H,2-3,5,8H2,1H3
InChIKeyFCKMYOLEOZNCQV-UHFFFAOYSA-N
XLogP1.33
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-(pyrrolidin-2-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 117132105
5-chloro-2-pyrrolidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 84750927
methyl 2-methyl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 66720768
methyl 5-piperidin-2-ylpyridine-2-carboxylate
CID 54396693
methyl 2-(azepan-1-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 117257641
methyl 2-[(1-ethylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 117132113
methyl 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
CID 117132114
methyl 3-piperidin-2-ylbenzoate;hydrochloride
CID 91798908
8-methoxy-2-piperidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine
CID 117136536
methyl 3-methoxy-4-[(2S)-piperidin-2-yl]benzoate
CID 125468644
methyl 2-[(2S)-piperidin-2-yl]pyridine-4-carboxylate
CID 131408297
N-(2-methoxy-6-piperidin-2-ylphenyl)acetamide
CID 117374229

Frequently Asked Questions

What is the IUPAC name of methyl 2-piperidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?
The IUPAC name of methyl 2-piperidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate (CID 117131974) is methyl 2-piperidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate.
What is the SMILES notation for methyl 2-piperidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?
The canonical SMILES for methyl 2-piperidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate is COC(=O)c1cccc2nc(C3CCCCN3)nn12.
What is the InChIKey of methyl 2-piperidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?
The InChIKey is FCKMYOLEOZNCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-19-13(18)10-6-4-7-11-15-12(16-17(10)11)9-5-2-3-8-14-9/h4,6-7,9,14H,2-3,5,8H2,1H3.
What are the key properties of methyl 2-piperidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?
methyl 2-piperidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate has a molecular weight of 260.30 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-piperidin-2-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate is sourced from PubChem (CID 117131974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).