trans-(1S,2S)-2-(4-phenyltriazol-1-yl)cyclopentan-1-ol

C13H15N3O — CID 134861782

IUPACtrans-(1S,2S)-2-(4-phenyltriazol-1-yl)cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1n1cc(-c2ccccc2)nn1
InChIInChI=1S/C13H15N3O/c17-13-8-4-7-12(13)16-9-11(14-15-16)10-5-2-1-3-6-10/h1-3,5-6,9,12-13,17H,4,7-8H2/t12-,13-/m0/s1
InChIKeyFQUYUJHYIDLAQK-STQMWFEESA-N
MW229.28 g/mol
LogP2.03
Rot. Bonds2

About trans-(1S,2S)-2-(4-phenyltriazol-1-yl)cyclopentan-1-ol

trans-(1S,2S)-2-(4-phenyltriazol-1-yl)cyclopentan-1-ol (PubChem CID 134861782) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is trans-(1S,2S)-2-(4-phenyltriazol-1-yl)cyclopentan-1-ol.

Molecular Properties

Compound Nametrans-(1S,2S)-2-(4-phenyltriazol-1-yl)cyclopentan-1-ol
PubChem CID134861782
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Nametrans-(1S,2S)-2-(4-phenyltriazol-1-yl)cyclopentan-1-ol
SMILESO[C@H]1CCC[C@@H]1n1cc(-c2ccccc2)nn1
InChIInChI=1S/C13H15N3O/c17-13-8-4-7-12(13)16-9-11(14-15-16)10-5-2-1-3-6-10/h1-3,5-6,9,12-13,17H,4,7-8H2/t12-,13-/m0/s1
InChIKeyFQUYUJHYIDLAQK-STQMWFEESA-N
XLogP2.03
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze trans-(1S,2S)-2-(4-phenyltriazol-1-yl)cyclopentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-2-(4-phenyltriazol-1-yl)cyclopentan-1-ol?
The IUPAC name of trans-(1S,2S)-2-(4-phenyltriazol-1-yl)cyclopentan-1-ol (CID 134861782) is trans-(1S,2S)-2-(4-phenyltriazol-1-yl)cyclopentan-1-ol.
What is the SMILES notation for trans-(1S,2S)-2-(4-phenyltriazol-1-yl)cyclopentan-1-ol?
The canonical SMILES for trans-(1S,2S)-2-(4-phenyltriazol-1-yl)cyclopentan-1-ol is O[C@H]1CCC[C@@H]1n1cc(-c2ccccc2)nn1.
What is the InChIKey of trans-(1S,2S)-2-(4-phenyltriazol-1-yl)cyclopentan-1-ol?
The InChIKey is FQUYUJHYIDLAQK-STQMWFEESA-N. The full InChI is InChI=1S/C13H15N3O/c17-13-8-4-7-12(13)16-9-11(14-15-16)10-5-2-1-3-6-10/h1-3,5-6,9,12-13,17H,4,7-8H2/t12-,13-/m0/s1.
What are the key properties of trans-(1S,2S)-2-(4-phenyltriazol-1-yl)cyclopentan-1-ol?
trans-(1S,2S)-2-(4-phenyltriazol-1-yl)cyclopentan-1-ol has a molecular weight of 229.28 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-(4-phenyltriazol-1-yl)cyclopentan-1-ol is sourced from PubChem (CID 134861782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).