(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone

C17H20N8O — CID 121178305

About (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone

(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone (PubChem CID 121178305) has the molecular formula C17H20N8O and a molecular weight of 352.40 g/mol. Its IUPAC name is (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone.

Molecular Properties

• Compound Name: (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
• PubChem CID: 121178305
• Molecular Formula: C17H20N8O
• Molecular Weight: 352.40 g/mol
• Exact Mass: 352.18
• IUPAC Name: (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
• SMILES: Cc1cc(C)n2nc(C(=O)N3C4CCC3CC(n3nccn3)C4)nc2n1
• InChI: InChI=1S/C17H20N8O/c1-10-7-11(2)24-17(20-10)21-15(22-24)16(26)23-12-3-4-13(23)9-14(8-12)25-18-5-6-19-25/h5-7,12-14H,3-4,8-9H2,1-2H3
• InChIKey: FENIJMKTWGTKQU-UHFFFAOYSA-N
• XLogP: 1.34
• TPSA: 94.10 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.40
LogP ≤ 5	1.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?

The IUPAC name of (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone (CID 121178305) is (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone.

What is the SMILES notation for (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?

The canonical SMILES for (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone is Cc1cc(C)n2nc(C(=O)N3C4CCC3CC(n3nccn3)C4)nc2n1.

What is the InChIKey of (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?

The InChIKey is FENIJMKTWGTKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N8O/c1-10-7-11(2)24-17(20-10)21-15(22-24)16(26)23-12-3-4-13(23)9-14(8-12)25-18-5-6-19-25/h5-7,12-14H,3-4,8-9H2,1-2H3.

What are the key properties of (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?

(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone has a molecular weight of 352.40 g/mol, XLogP of 1.34, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-[3-(triazol-2-yl)-8-azabicyclo[3.2.1]octan-8-yl]methanone is sourced from PubChem (CID 121178305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).