methyl 2-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate

C16H22N4O2 — CID 117129737

IUPACmethyl 2-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(C3CCCCN3C(C)C)nn2c1
InChIInChI=1S/C16H22N4O2/c1-11(2)19-9-5-4-6-13(19)15-17-14-8-7-12(16(21)22-3)10-20(14)18-15/h7-8,10-11,13H,4-6,9H2,1-3H3
InChIKeyQFMWQSHPECWWCJ-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.45
Rot. Bonds3

About methyl 2-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate

methyl 2-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate (PubChem CID 117129737) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is methyl 2-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate.

Molecular Properties

Compound Namemethyl 2-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
PubChem CID117129737
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Namemethyl 2-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate
SMILESCOC(=O)c1ccc2nc(C3CCCCN3C(C)C)nn2c1
InChIInChI=1S/C16H22N4O2/c1-11(2)19-9-5-4-6-13(19)15-17-14-8-7-12(16(21)22-3)10-20(14)18-15/h7-8,10-11,13H,4-6,9H2,1-3H3
InChIKeyQFMWQSHPECWWCJ-UHFFFAOYSA-N
XLogP2.45
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate?
The IUPAC name of methyl 2-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate (CID 117129737) is methyl 2-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate.
What is the SMILES notation for methyl 2-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate?
The canonical SMILES for methyl 2-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate is COC(=O)c1ccc2nc(C3CCCCN3C(C)C)nn2c1.
What is the InChIKey of methyl 2-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate?
The InChIKey is QFMWQSHPECWWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-11(2)19-9-5-4-6-13(19)15-17-14-8-7-12(16(21)22-3)10-20(14)18-15/h7-8,10-11,13H,4-6,9H2,1-3H3.
What are the key properties of methyl 2-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate?
methyl 2-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate has a molecular weight of 302.38 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[1,5-a]pyridine-6-carboxylate is sourced from PubChem (CID 117129737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).