2-(4-hexyltriazol-1-yl)-2-phenyl-1-(2H-tetrazol-5-yl)ethanol

C17H23N7O — CID 130403970

IUPAC2-(4-hexyltriazol-1-yl)-2-phenyl-1-(2H-tetrazol-5-yl)ethanol
SMILESCCCCCCc1cn(C(c2ccccc2)C(O)c2nn[nH]n2)nn1
InChIInChI=1S/C17H23N7O/c1-2-3-4-8-11-14-12-24(23-18-14)15(13-9-6-5-7-10-13)16(25)17-19-21-22-20-17/h5-7,9-10,12,15-16,25H,2-4,8,11H2,1H3,(H,19,20,21,22)
InChIKeyKNAUUEVSJUXUKN-UHFFFAOYSA-N
MW341.42 g/mol
LogP2.24
Rot. Bonds9

About 2-(4-hexyltriazol-1-yl)-2-phenyl-1-(2H-tetrazol-5-yl)ethanol

2-(4-hexyltriazol-1-yl)-2-phenyl-1-(2H-tetrazol-5-yl)ethanol (PubChem CID 130403970) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is 2-(4-hexyltriazol-1-yl)-2-phenyl-1-(2H-tetrazol-5-yl)ethanol.

Molecular Properties

Compound Name2-(4-hexyltriazol-1-yl)-2-phenyl-1-(2H-tetrazol-5-yl)ethanol
PubChem CID130403970
Molecular FormulaC17H23N7O
Molecular Weight341.42 g/mol
Exact Mass341.20
IUPAC Name2-(4-hexyltriazol-1-yl)-2-phenyl-1-(2H-tetrazol-5-yl)ethanol
SMILESCCCCCCc1cn(C(c2ccccc2)C(O)c2nn[nH]n2)nn1
InChIInChI=1S/C17H23N7O/c1-2-3-4-8-11-14-12-24(23-18-14)15(13-9-6-5-7-10-13)16(25)17-19-21-22-20-17/h5-7,9-10,12,15-16,25H,2-4,8,11H2,1H3,(H,19,20,21,22)
InChIKeyKNAUUEVSJUXUKN-UHFFFAOYSA-N
XLogP2.24
TPSA105.40 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(4-hexyltriazol-1-yl)-2-phenyl-1-(2H-tetrazol-5-yl)ethanol 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-(4-hexyltriazol-1-yl)-2-phenyl-1-(2H-tetrazol-5-yl)ethanol?
The IUPAC name of 2-(4-hexyltriazol-1-yl)-2-phenyl-1-(2H-tetrazol-5-yl)ethanol (CID 130403970) is 2-(4-hexyltriazol-1-yl)-2-phenyl-1-(2H-tetrazol-5-yl)ethanol.
What is the SMILES notation for 2-(4-hexyltriazol-1-yl)-2-phenyl-1-(2H-tetrazol-5-yl)ethanol?
The canonical SMILES for 2-(4-hexyltriazol-1-yl)-2-phenyl-1-(2H-tetrazol-5-yl)ethanol is CCCCCCc1cn(C(c2ccccc2)C(O)c2nn[nH]n2)nn1.
What is the InChIKey of 2-(4-hexyltriazol-1-yl)-2-phenyl-1-(2H-tetrazol-5-yl)ethanol?
The InChIKey is KNAUUEVSJUXUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c1-2-3-4-8-11-14-12-24(23-18-14)15(13-9-6-5-7-10-13)16(25)17-19-21-22-20-17/h5-7,9-10,12,15-16,25H,2-4,8,11H2,1H3,(H,19,20,21,22).
What are the key properties of 2-(4-hexyltriazol-1-yl)-2-phenyl-1-(2H-tetrazol-5-yl)ethanol?
2-(4-hexyltriazol-1-yl)-2-phenyl-1-(2H-tetrazol-5-yl)ethanol has a molecular weight of 341.42 g/mol, XLogP of 2.24, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hexyltriazol-1-yl)-2-phenyl-1-(2H-tetrazol-5-yl)ethanol is sourced from PubChem (CID 130403970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).