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

C15H22N4O — CID 117146785

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

3-[(1-propan-2-ylpiperidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol (PubChem CID 117146785) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 3-[(1-propan-2-ylpiperidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol.

Molecular Properties

• Compound Name: 3-[(1-propan-2-ylpiperidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol
• PubChem CID: 117146785
• Molecular Formula: C15H22N4O
• Molecular Weight: 274.37 g/mol
• Exact Mass: 274.18
• IUPAC Name: 3-[(1-propan-2-ylpiperidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol
• SMILES: CC(C)N1CCCC(Cc2nnc3c(O)cccn23)C1
• InChI: InChI=1S/C15H22N4O/c1-11(2)18-7-3-5-12(10-18)9-14-16-17-15-13(20)6-4-8-19(14)15/h4,6,8,11-12,20H,3,5,7,9-10H2,1-2H3
• InChIKey: MGTNSEBGMFWBEH-UHFFFAOYSA-N
• XLogP: 2.10
• TPSA: 53.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	274.37
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 3-[(1-propan-2-ylpiperidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol (CID 117146785) is 3-[(1-propan-2-ylpiperidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol.

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

The canonical SMILES for 3-[(1-propan-2-ylpiperidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol is CC(C)N1CCCC(Cc2nnc3c(O)cccn23)C1.

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

The InChIKey is MGTNSEBGMFWBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-11(2)18-7-3-5-12(10-18)9-14-16-17-15-13(20)6-4-8-19(14)15/h4,6,8,11-12,20H,3,5,7,9-10H2,1-2H3.

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

3-[(1-propan-2-ylpiperidin-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol has a molecular weight of 274.37 g/mol, XLogP of 2.10, 3 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-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-ol is sourced from PubChem (CID 117146785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).