3-[[3-(5-methoxy-2-pyridinyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol

C15H17N7O2 — CID 90390356

IUPAC3-[[3-(5-methoxy-2-pyridinyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol
SMILESCOc1ccc(-n2nnc3cnc(NC4CCC(O)C4)nc32)nc1
InChIInChI=1S/C15H17N7O2/c1-24-11-4-5-13(16-7-11)22-14-12(20-21-22)8-17-15(19-14)18-9-2-3-10(23)6-9/h4-5,7-10,23H,2-3,6H2,1H3,(H,17,18,19)
InChIKeyLEEXEUHIWCHJEN-UHFFFAOYSA-N
MW327.35 g/mol
LogP0.94
Rot. Bonds4

About 3-[[3-(5-methoxy-2-pyridinyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol

3-[[3-(5-methoxy-2-pyridinyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol (PubChem CID 90390356) has the molecular formula C15H17N7O2 and a molecular weight of 327.35 g/mol. Its IUPAC name is 3-[[3-(5-methoxy-2-pyridinyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol.

Molecular Properties

Compound Name3-[[3-(5-methoxy-2-pyridinyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol
PubChem CID90390356
Molecular FormulaC15H17N7O2
Molecular Weight327.35 g/mol
Exact Mass327.14
IUPAC Name3-[[3-(5-methoxy-2-pyridinyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol
SMILESCOc1ccc(-n2nnc3cnc(NC4CCC(O)C4)nc32)nc1
InChIInChI=1S/C15H17N7O2/c1-24-11-4-5-13(16-7-11)22-14-12(20-21-22)8-17-15(19-14)18-9-2-3-10(23)6-9/h4-5,7-10,23H,2-3,6H2,1H3,(H,17,18,19)
InChIKeyLEEXEUHIWCHJEN-UHFFFAOYSA-N
XLogP0.94
TPSA110.87 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.35
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-[[3-(5-methoxy-2-pyridinyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol?
The IUPAC name of 3-[[3-(5-methoxy-2-pyridinyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol (CID 90390356) is 3-[[3-(5-methoxy-2-pyridinyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol.
What is the SMILES notation for 3-[[3-(5-methoxy-2-pyridinyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol?
The canonical SMILES for 3-[[3-(5-methoxy-2-pyridinyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol is COc1ccc(-n2nnc3cnc(NC4CCC(O)C4)nc32)nc1.
What is the InChIKey of 3-[[3-(5-methoxy-2-pyridinyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol?
The InChIKey is LEEXEUHIWCHJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N7O2/c1-24-11-4-5-13(16-7-11)22-14-12(20-21-22)8-17-15(19-14)18-9-2-3-10(23)6-9/h4-5,7-10,23H,2-3,6H2,1H3,(H,17,18,19).
What are the key properties of 3-[[3-(5-methoxy-2-pyridinyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol?
3-[[3-(5-methoxy-2-pyridinyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol has a molecular weight of 327.35 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(5-methoxy-2-pyridinyl)triazolo[4,5-d]pyrimidin-5-yl]amino]cyclopentan-1-ol is sourced from PubChem (CID 90390356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).