methyl 3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate

C14H18N4O2 — CID 117140201

IUPACmethyl 3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nnc(C3CCCCN3C)n2c1
InChIInChI=1S/C14H18N4O2/c1-17-8-4-3-5-11(17)13-16-15-12-7-6-10(9-18(12)13)14(19)20-2/h6-7,9,11H,3-5,8H2,1-2H3
InChIKeyFHWBMRRLIJIPJF-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.67
Rot. Bonds2

About methyl 3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate

methyl 3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate (PubChem CID 117140201) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is methyl 3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
PubChem CID117140201
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Namemethyl 3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nnc(C3CCCCN3C)n2c1
InChIInChI=1S/C14H18N4O2/c1-17-8-4-3-5-11(17)13-16-15-12-7-6-10(9-18(12)13)14(19)20-2/h6-7,9,11H,3-5,8H2,1-2H3
InChIKeyFHWBMRRLIJIPJF-UHFFFAOYSA-N
XLogP1.67
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
The IUPAC name of methyl 3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate (CID 117140201) is methyl 3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate is COC(=O)c1ccc2nnc(C3CCCCN3C)n2c1.
What is the InChIKey of methyl 3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
The InChIKey is FHWBMRRLIJIPJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-17-8-4-3-5-11(17)13-16-15-12-7-6-10(9-18(12)13)14(19)20-2/h6-7,9,11H,3-5,8H2,1-2H3.
What are the key properties of methyl 3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
methyl 3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(1-methylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate is sourced from PubChem (CID 117140201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).