[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine

C15H23N5 — CID 117140724

About [3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine

[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine (PubChem CID 117140724) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is [3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine.

Molecular Properties

• Compound Name: [3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine
• PubChem CID: 117140724
• Molecular Formula: C15H23N5
• Molecular Weight: 273.38 g/mol
• Exact Mass: 273.20
• IUPAC Name: [3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine
• SMILES: CC(C)N1CCC(Cc2nnc3cccc(CN)n23)C1
• InChI: InChI=1S/C15H23N5/c1-11(2)19-7-6-12(10-19)8-15-18-17-14-5-3-4-13(9-16)20(14)15/h3-5,11-12H,6-10,16H2,1-2H3
• InChIKey: SFFPGMDILXPSTQ-UHFFFAOYSA-N
• XLogP: 1.46
• TPSA: 59.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	273.38
LogP ≤ 5	1.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine?

The IUPAC name of [3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine (CID 117140724) is [3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine.

What is the SMILES notation for [3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine?

The canonical SMILES for [3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine is CC(C)N1CCC(Cc2nnc3cccc(CN)n23)C1.

What is the InChIKey of [3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine?

The InChIKey is SFFPGMDILXPSTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-11(2)19-7-6-12(10-19)8-15-18-17-14-5-3-4-13(9-16)20(14)15/h3-5,11-12H,6-10,16H2,1-2H3.

What are the key properties of [3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine?

[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine has a molecular weight of 273.38 g/mol, XLogP of 1.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-5-yl]methanamine is sourced from PubChem (CID 117140724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).