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

C14H18N4O2 — CID 117140275

IUPACmethyl 3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nnc(CC3CCCNC3)n2c1
InChIInChI=1S/C14H18N4O2/c1-20-14(19)11-4-5-12-16-17-13(18(12)9-11)7-10-3-2-6-15-8-10/h4-5,9-10,15H,2-3,6-8H2,1H3
InChIKeyDBRFTYJKMKYZOE-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.06
Rot. Bonds3

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

methyl 3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate (PubChem CID 117140275) has the molecular formula C14H18N4O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is methyl 3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
PubChem CID117140275
Molecular FormulaC14H18N4O2
Molecular Weight274.32 g/mol
Exact Mass274.14
IUPAC Namemethyl 3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nnc(CC3CCCNC3)n2c1
InChIInChI=1S/C14H18N4O2/c1-20-14(19)11-4-5-12-16-17-13(18(12)9-11)7-10-3-2-6-15-8-10/h4-5,9-10,15H,2-3,6-8H2,1H3
InChIKeyDBRFTYJKMKYZOE-UHFFFAOYSA-N
XLogP1.06
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate with MolForge

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Related Compounds

methyl 3-(oxolan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 117140093
6-chloro-3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117139379
methyl 4-(piperidin-3-ylmethyl)benzoate
CID 45074031
methyl 3-[(cyclopropylamino)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 117257174
methyl 2-(pyrrolidin-3-ylmethyl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
CID 117129158
methyl 4-(2-piperidin-3-ylethyl)benzoate
CID 126844861
methyl 3-(2-phenylethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 115384667
methyl 3-(furan-2-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 117140392
3-(oxan-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid
CID 117140261
3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyrazine
CID 62690462
methyl 6-(piperidin-3-ylmethoxymethyl)pyridine-3-carboxylate
CID 83212715
[3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 117143329

Frequently Asked Questions

What is the IUPAC name of methyl 3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
The IUPAC name of methyl 3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate (CID 117140275) is methyl 3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate is COC(=O)c1ccc2nnc(CC3CCCNC3)n2c1.
What is the InChIKey of methyl 3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
The InChIKey is DBRFTYJKMKYZOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O2/c1-20-14(19)11-4-5-12-16-17-13(18(12)9-11)7-10-3-2-6-15-8-10/h4-5,9-10,15H,2-3,6-8H2,1H3.
What are the key properties of methyl 3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate?
methyl 3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate has a molecular weight of 274.32 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(piperidin-3-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate is sourced from PubChem (CID 117140275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).