methyl 3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate

C16H22N4O2 — CID 117147559

About methyl 3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate

methyl 3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate (PubChem CID 117147559) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is methyl 3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate.

Molecular Properties

• Compound Name: methyl 3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
• PubChem CID: 117147559
• Molecular Formula: C16H22N4O2
• Molecular Weight: 302.38 g/mol
• Exact Mass: 302.17
• IUPAC Name: methyl 3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
• SMILES: COC(=O)c1cccn2c(C3CCCCN3C(C)C)nnc12
• InChI: InChI=1S/C16H22N4O2/c1-11(2)19-9-5-4-8-13(19)15-18-17-14-12(16(21)22-3)7-6-10-20(14)15/h6-7,10-11,13H,4-5,8-9H2,1-3H3
• InChIKey: FVDTWBNHFGOAQN-UHFFFAOYSA-N
• XLogP: 2.45
• TPSA: 59.73 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	302.38
LogP ≤ 5	2.45
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl 3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate?

The IUPAC name of methyl 3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate (CID 117147559) is methyl 3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate.

What is the SMILES notation for methyl 3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate?

The canonical SMILES for methyl 3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate is COC(=O)c1cccn2c(C3CCCCN3C(C)C)nnc12.

What is the InChIKey of methyl 3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate?

The InChIKey is FVDTWBNHFGOAQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-11(2)19-9-5-4-8-13(19)15-18-17-14-12(16(21)22-3)7-6-10-20(14)15/h6-7,10-11,13H,4-5,8-9H2,1-3H3.

What are the key properties of methyl 3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate?

methyl 3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-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 3-(1-propan-2-ylpiperidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate is sourced from PubChem (CID 117147559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).