2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane

C17H18N6OS — CID 131645612

About 2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane

2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane (PubChem CID 131645612) has the molecular formula C17H18N6OS and a molecular weight of 354.44 g/mol. Its IUPAC name is 2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane.

Molecular Properties

• Compound Name: 2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
• PubChem CID: 131645612
• Molecular Formula: C17H18N6OS
• Molecular Weight: 354.44 g/mol
• Exact Mass: 354.13
• IUPAC Name: 2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane
• SMILES: Cc1cc(N2CC3(CC(Oc4cccnc4)CS3)C2)n2ncnc2n1
• InChI: InChI=1S/C17H18N6OS/c1-12-5-15(23-16(21-12)19-11-20-23)22-9-17(10-22)6-14(8-25-17)24-13-3-2-4-18-7-13/h2-5,7,11,14H,6,8-10H2,1H3
• InChIKey: ZKXBIKLZLVWXCK-UHFFFAOYSA-N
• XLogP: 1.97
• TPSA: 68.44 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.44
LogP ≤ 5	1.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane?

The IUPAC name of 2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane (CID 131645612) is 2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane.

What is the SMILES notation for 2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane?

The canonical SMILES for 2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane is Cc1cc(N2CC3(CC(Oc4cccnc4)CS3)C2)n2ncnc2n1.

What is the InChIKey of 2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane?

The InChIKey is ZKXBIKLZLVWXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N6OS/c1-12-5-15(23-16(21-12)19-11-20-23)22-9-17(10-22)6-14(8-25-17)24-13-3-2-4-18-7-13/h2-5,7,11,14H,6,8-10H2,1H3.

What are the key properties of 2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane?

2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane has a molecular weight of 354.44 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)-7-pyridin-3-yloxy-5-thia-2-azaspiro[3.4]octane is sourced from PubChem (CID 131645612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).