2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]cyclopentan-1-ol

C13H23N3O — CID 79564193

IUPAC2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]cyclopentan-1-ol
SMILESCCc1nc(CC)n(CCC2CCCC2O)n1
InChIInChI=1S/C13H23N3O/c1-3-12-14-13(4-2)16(15-12)9-8-10-6-5-7-11(10)17/h10-11,17H,3-9H2,1-2H3
InChIKeyAOYZHITZCDHXOY-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.95
Rot. Bonds5

About 2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]cyclopentan-1-ol

2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]cyclopentan-1-ol (PubChem CID 79564193) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]cyclopentan-1-ol.

Molecular Properties

Compound Name2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]cyclopentan-1-ol
PubChem CID79564193
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]cyclopentan-1-ol
SMILESCCc1nc(CC)n(CCC2CCCC2O)n1
InChIInChI=1S/C13H23N3O/c1-3-12-14-13(4-2)16(15-12)9-8-10-6-5-7-11(10)17/h10-11,17H,3-9H2,1-2H3
InChIKeyAOYZHITZCDHXOY-UHFFFAOYSA-N
XLogP1.95
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]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 2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]cyclopentan-1-ol?
The IUPAC name of 2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]cyclopentan-1-ol (CID 79564193) is 2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]cyclopentan-1-ol.
What is the SMILES notation for 2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]cyclopentan-1-ol?
The canonical SMILES for 2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]cyclopentan-1-ol is CCc1nc(CC)n(CCC2CCCC2O)n1.
What is the InChIKey of 2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]cyclopentan-1-ol?
The InChIKey is AOYZHITZCDHXOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-3-12-14-13(4-2)16(15-12)9-8-10-6-5-7-11(10)17/h10-11,17H,3-9H2,1-2H3.
What are the key properties of 2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]cyclopentan-1-ol?
2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]cyclopentan-1-ol has a molecular weight of 237.35 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-diethyl-1,2,4-triazol-1-yl)ethyl]cyclopentan-1-ol is sourced from PubChem (CID 79564193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).