1-(1-benzyltriazol-4-yl)-1-phenylethanol

C17H17N3O — CID 102111889

IUPAC1-(1-benzyltriazol-4-yl)-1-phenylethanol
SMILESCC(O)(c1ccccc1)c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C17H17N3O/c1-17(21,15-10-6-3-7-11-15)16-13-20(19-18-16)12-14-8-4-2-5-9-14/h2-11,13,21H,12H2,1H3
InChIKeyLAJONIJQQPWSSR-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.58
Rot. Bonds4

About 1-(1-benzyltriazol-4-yl)-1-phenylethanol

1-(1-benzyltriazol-4-yl)-1-phenylethanol (PubChem CID 102111889) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(1-benzyltriazol-4-yl)-1-phenylethanol.

Molecular Properties

Compound Name1-(1-benzyltriazol-4-yl)-1-phenylethanol
PubChem CID102111889
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name1-(1-benzyltriazol-4-yl)-1-phenylethanol
SMILESCC(O)(c1ccccc1)c1cn(Cc2ccccc2)nn1
InChIInChI=1S/C17H17N3O/c1-17(21,15-10-6-3-7-11-15)16-13-20(19-18-16)12-14-8-4-2-5-9-14/h2-11,13,21H,12H2,1H3
InChIKeyLAJONIJQQPWSSR-UHFFFAOYSA-N
XLogP2.58
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(1-benzyltriazol-4-yl)-1-phenylethanol 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-benzyltriazol-4-yl)-1-phenylethanol?
The IUPAC name of 1-(1-benzyltriazol-4-yl)-1-phenylethanol (CID 102111889) is 1-(1-benzyltriazol-4-yl)-1-phenylethanol.
What is the SMILES notation for 1-(1-benzyltriazol-4-yl)-1-phenylethanol?
The canonical SMILES for 1-(1-benzyltriazol-4-yl)-1-phenylethanol is CC(O)(c1ccccc1)c1cn(Cc2ccccc2)nn1.
What is the InChIKey of 1-(1-benzyltriazol-4-yl)-1-phenylethanol?
The InChIKey is LAJONIJQQPWSSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-17(21,15-10-6-3-7-11-15)16-13-20(19-18-16)12-14-8-4-2-5-9-14/h2-11,13,21H,12H2,1H3.
What are the key properties of 1-(1-benzyltriazol-4-yl)-1-phenylethanol?
1-(1-benzyltriazol-4-yl)-1-phenylethanol has a molecular weight of 279.34 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzyltriazol-4-yl)-1-phenylethanol is sourced from PubChem (CID 102111889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).