3-(triazol-1-yl)cyclopentan-1-one

C7H9N3O — CID 25198193

IUPAC3-(triazol-1-yl)cyclopentan-1-one
SMILESO=C1CCC(n2ccnn2)C1
InChIInChI=1S/C7H9N3O/c11-7-2-1-6(5-7)10-4-3-8-9-10/h3-4,6H,1-2,5H2
InChIKeyBGJJIUDETAITPO-UHFFFAOYSA-N
MW151.17 g/mol
LogP0.57
Rot. Bonds1

About 3-(triazol-1-yl)cyclopentan-1-one

3-(triazol-1-yl)cyclopentan-1-one (PubChem CID 25198193) has the molecular formula C7H9N3O and a molecular weight of 151.17 g/mol. Its IUPAC name is 3-(triazol-1-yl)cyclopentan-1-one.

Molecular Properties

Compound Name3-(triazol-1-yl)cyclopentan-1-one
PubChem CID25198193
Molecular FormulaC7H9N3O
Molecular Weight151.17 g/mol
Exact Mass151.07
IUPAC Name3-(triazol-1-yl)cyclopentan-1-one
SMILESO=C1CCC(n2ccnn2)C1
InChIInChI=1S/C7H9N3O/c11-7-2-1-6(5-7)10-4-3-8-9-10/h3-4,6H,1-2,5H2
InChIKeyBGJJIUDETAITPO-UHFFFAOYSA-N
XLogP0.57
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.17
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(triazol-1-yl)cyclopentan-1-one?
The IUPAC name of 3-(triazol-1-yl)cyclopentan-1-one (CID 25198193) is 3-(triazol-1-yl)cyclopentan-1-one.
What is the SMILES notation for 3-(triazol-1-yl)cyclopentan-1-one?
The canonical SMILES for 3-(triazol-1-yl)cyclopentan-1-one is O=C1CCC(n2ccnn2)C1.
What is the InChIKey of 3-(triazol-1-yl)cyclopentan-1-one?
The InChIKey is BGJJIUDETAITPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O/c11-7-2-1-6(5-7)10-4-3-8-9-10/h3-4,6H,1-2,5H2.
What are the key properties of 3-(triazol-1-yl)cyclopentan-1-one?
3-(triazol-1-yl)cyclopentan-1-one has a molecular weight of 151.17 g/mol, XLogP of 0.57, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(triazol-1-yl)cyclopentan-1-one is sourced from PubChem (CID 25198193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).