1-(1-octyltriazol-4-yl)cyclohexan-1-ol

C16H29N3O — CID 139251724

IUPAC1-(1-octyltriazol-4-yl)cyclohexan-1-ol
SMILESCCCCCCCCn1cc(C2(O)CCCCC2)nn1
InChIInChI=1S/C16H29N3O/c1-2-3-4-5-6-10-13-19-14-15(17-18-19)16(20)11-8-7-9-12-16/h14,20H,2-13H2,1H3
InChIKeyFQBDDRVZKRFTTE-UHFFFAOYSA-N
MW279.43 g/mol
LogP3.79
Rot. Bonds8

About 1-(1-octyltriazol-4-yl)cyclohexan-1-ol

1-(1-octyltriazol-4-yl)cyclohexan-1-ol (PubChem CID 139251724) has the molecular formula C16H29N3O and a molecular weight of 279.43 g/mol. Its IUPAC name is 1-(1-octyltriazol-4-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(1-octyltriazol-4-yl)cyclohexan-1-ol
PubChem CID139251724
Molecular FormulaC16H29N3O
Molecular Weight279.43 g/mol
Exact Mass279.23
IUPAC Name1-(1-octyltriazol-4-yl)cyclohexan-1-ol
SMILESCCCCCCCCn1cc(C2(O)CCCCC2)nn1
InChIInChI=1S/C16H29N3O/c1-2-3-4-5-6-10-13-19-14-15(17-18-19)16(20)11-8-7-9-12-16/h14,20H,2-13H2,1H3
InChIKeyFQBDDRVZKRFTTE-UHFFFAOYSA-N
XLogP3.79
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(1-octyltriazol-4-yl)cyclohexan-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 1-(1-octyltriazol-4-yl)cyclohexan-1-ol?
The IUPAC name of 1-(1-octyltriazol-4-yl)cyclohexan-1-ol (CID 139251724) is 1-(1-octyltriazol-4-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-(1-octyltriazol-4-yl)cyclohexan-1-ol?
The canonical SMILES for 1-(1-octyltriazol-4-yl)cyclohexan-1-ol is CCCCCCCCn1cc(C2(O)CCCCC2)nn1.
What is the InChIKey of 1-(1-octyltriazol-4-yl)cyclohexan-1-ol?
The InChIKey is FQBDDRVZKRFTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O/c1-2-3-4-5-6-10-13-19-14-15(17-18-19)16(20)11-8-7-9-12-16/h14,20H,2-13H2,1H3.
What are the key properties of 1-(1-octyltriazol-4-yl)cyclohexan-1-ol?
1-(1-octyltriazol-4-yl)cyclohexan-1-ol has a molecular weight of 279.43 g/mol, XLogP of 3.79, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-octyltriazol-4-yl)cyclohexan-1-ol is sourced from PubChem (CID 139251724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).