[3-[(1-propan-2-ylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine

C16H25N5 — CID 117138303

About [3-[(1-propan-2-ylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine

[3-[(1-propan-2-ylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine (PubChem CID 117138303) has the molecular formula C16H25N5 and a molecular weight of 287.41 g/mol. Its IUPAC name is [3-[(1-propan-2-ylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine.

Molecular Properties

• Compound Name: [3-[(1-propan-2-ylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
• PubChem CID: 117138303
• Molecular Formula: C16H25N5
• Molecular Weight: 287.41 g/mol
• Exact Mass: 287.21
• IUPAC Name: [3-[(1-propan-2-ylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
• SMILES: CC(C)N1CCCCC1Cc1nnc2ccc(CN)cn12
• InChI: InChI=1S/C16H25N5/c1-12(2)20-8-4-3-5-14(20)9-16-19-18-15-7-6-13(10-17)11-21(15)16/h6-7,11-12,14H,3-5,8-10,17H2,1-2H3
• InChIKey: MQIITOHBQBJBGD-UHFFFAOYSA-N
• XLogP: 1.99
• TPSA: 59.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 21
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	287.41
LogP ≤ 5	1.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of [3-[(1-propan-2-ylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine?

The IUPAC name of [3-[(1-propan-2-ylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine (CID 117138303) is [3-[(1-propan-2-ylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine.

What is the SMILES notation for [3-[(1-propan-2-ylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine?

The canonical SMILES for [3-[(1-propan-2-ylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine is CC(C)N1CCCCC1Cc1nnc2ccc(CN)cn12.

What is the InChIKey of [3-[(1-propan-2-ylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine?

The InChIKey is MQIITOHBQBJBGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5/c1-12(2)20-8-4-3-5-14(20)9-16-19-18-15-7-6-13(10-17)11-21(15)16/h6-7,11-12,14H,3-5,8-10,17H2,1-2H3.

What are the key properties of [3-[(1-propan-2-ylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine?

[3-[(1-propan-2-ylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine has a molecular weight of 287.41 g/mol, XLogP of 1.99, 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-ylpiperidin-2-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine is sourced from PubChem (CID 117138303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).