3-[[3-(6-ethoxy-3-pyridinyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol

C16H19N7O2 — CID 118659345

About 3-[[3-(6-ethoxy-3-pyridinyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol

3-[[3-(6-ethoxy-3-pyridinyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol (PubChem CID 118659345) has the molecular formula C16H19N7O2 and a molecular weight of 341.38 g/mol. Its IUPAC name is 3-[[3-(6-ethoxy-3-pyridinyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol.

Molecular Properties

• Compound Name: 3-[[3-(6-ethoxy-3-pyridinyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol
• PubChem CID: 118659345
• Molecular Formula: C16H19N7O2
• Molecular Weight: 341.38 g/mol
• Exact Mass: 341.16
• IUPAC Name: 3-[[3-(6-ethoxy-3-pyridinyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol
• SMILES: CCOc1ccc(-n2nnc3cnc(NC4CCC(O)C4)nc32)cn1
• InChI: InChI=1S/C16H19N7O2/c1-2-25-14-6-4-11(8-17-14)23-15-13(21-22-23)9-18-16(20-15)19-10-3-5-12(24)7-10/h4,6,8-10,12,24H,2-3,5,7H2,1H3,(H,18,19,20)
• InChIKey: SFJZNHAKYPNBSW-UHFFFAOYSA-N
• XLogP: 1.33
• TPSA: 110.87 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.38
LogP ≤ 5	1.33
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(6-ethoxy-3-pyridinyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol?

The IUPAC name of 3-[[3-(6-ethoxy-3-pyridinyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol (CID 118659345) is 3-[[3-(6-ethoxy-3-pyridinyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol.

What is the SMILES notation for 3-[[3-(6-ethoxy-3-pyridinyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol?

The canonical SMILES for 3-[[3-(6-ethoxy-3-pyridinyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol is CCOc1ccc(-n2nnc3cnc(NC4CCC(O)C4)nc32)cn1.

What is the InChIKey of 3-[[3-(6-ethoxy-3-pyridinyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol?

The InChIKey is SFJZNHAKYPNBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N7O2/c1-2-25-14-6-4-11(8-17-14)23-15-13(21-22-23)9-18-16(20-15)19-10-3-5-12(24)7-10/h4,6,8-10,12,24H,2-3,5,7H2,1H3,(H,18,19,20).

What are the key properties of 3-[[3-(6-ethoxy-3-pyridinyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol?

3-[[3-(6-ethoxy-3-pyridinyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol has a molecular weight of 341.38 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[3-(6-ethoxy-3-pyridinyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol is sourced from PubChem (CID 118659345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).