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

C16H22N4O2 — CID 117132114

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

methyl 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate (PubChem CID 117132114) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is methyl 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate.

Molecular Properties

• Compound Name: methyl 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
• PubChem CID: 117132114
• Molecular Formula: C16H22N4O2
• Molecular Weight: 302.38 g/mol
• Exact Mass: 302.17
• IUPAC Name: methyl 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate
• SMILES: COC(=O)c1cccc2nc(CC3CCCN3C(C)C)nn12
• InChI: InChI=1S/C16H22N4O2/c1-11(2)19-9-5-6-12(19)10-14-17-15-8-4-7-13(16(21)22-3)20(15)18-14/h4,7-8,11-12H,5-6,9-10H2,1-3H3
• InChIKey: FGSRXGSPJRBLFA-UHFFFAOYSA-N
• XLogP: 1.93
• TPSA: 59.73 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	302.38
LogP ≤ 5	1.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?

The IUPAC name of methyl 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate (CID 117132114) is methyl 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate.

What is the SMILES notation for methyl 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?

The canonical SMILES for methyl 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate is COC(=O)c1cccc2nc(CC3CCCN3C(C)C)nn12.

What is the InChIKey of methyl 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?

The InChIKey is FGSRXGSPJRBLFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-11(2)19-9-5-6-12(19)10-14-17-15-8-4-7-13(16(21)22-3)20(15)18-14/h4,7-8,11-12H,5-6,9-10H2,1-3H3.

What are the key properties of methyl 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate?

methyl 2-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate has a molecular weight of 302.38 g/mol, XLogP of 1.93, 4 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-ylpyrrolidin-2-yl)methyl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate is sourced from PubChem (CID 117132114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).