2-[2-phenyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]phenol

C22H17N3O — CID 135419167

IUPAC2-[2-phenyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]phenol
SMILESOc1ccccc1-c1nc(/C=C/c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C22H17N3O/c26-20-14-8-7-13-19(20)22-23-21(16-15-17-9-3-1-4-10-17)24-25(22)18-11-5-2-6-12-18/h1-16,26H/b16-15+
InChIKeyHJBOXJGETYZTCL-FOCLMDBBSA-N
MW339.40 g/mol
LogP4.81
Rot. Bonds4

About 2-[2-phenyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]phenol

2-[2-phenyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]phenol (PubChem CID 135419167) has the molecular formula C22H17N3O and a molecular weight of 339.40 g/mol. Its IUPAC name is 2-[2-phenyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]phenol.

Molecular Properties

Compound Name2-[2-phenyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]phenol
PubChem CID135419167
Molecular FormulaC22H17N3O
Molecular Weight339.40 g/mol
Exact Mass339.14
IUPAC Name2-[2-phenyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]phenol
SMILESOc1ccccc1-c1nc(/C=C/c2ccccc2)nn1-c1ccccc1
InChIInChI=1S/C22H17N3O/c26-20-14-8-7-13-19(20)22-23-21(16-15-17-9-3-1-4-10-17)24-25(22)18-11-5-2-6-12-18/h1-16,26H/b16-15+
InChIKeyHJBOXJGETYZTCL-FOCLMDBBSA-N
XLogP4.81
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[2-phenyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]phenol with MolForge

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

Launch Full Analysis

Related Compounds

Deferasirox
CID 214348
4-((6-Phenyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)methyl)phenol
CID 24901696
2-{3-[(E)-2-(4-methoxyphenyl)ethenyl]-1-phenyl-1H-1,2,4-triazol-5-yl}phenol
CID 135437607
2,2'-(1-phenyl-1H-1,2,4-triazole-3,5-diyl)diphenol
CID 443276
2-(3-methyl-1-phenyl-1H-1,2,4-triazol-5-yl)phenol
CID 2305193
2-(3-(biphenyl-4-yl)-5-methyl-4H-1,2,4-triazol-4-yl)phenol
CID 10958392
3-(5-(4-tert-butylphenyl)-3-((dimethylamino)methyl)-1H-1,2,4-triazol-1-yl)phenol
CID 11957735
3-(2-(3-tert-Butylphenyl)-5-((dimethylamino)methyl)-2H-1,2,4-triazol-3-yl)phenol
CID 24802609
3-(2-(4-tert-Butylphenyl)-5-((dimethylamino)methyl)-2H-1,2,4-triazol-3-yl)phenol
CID 25000426
3-(5-(3-tert-Butylphenyl)-3-((dimethylamino)methyl)-1H-1,2,4-triazol-1-yl)phenol
CID 46226512
2-(3-ethyl-1-phenyl-1H-1,2,4-triazol-5-yl)phenol
CID 895860
3-[3-(Dimethylamino)-5-(3-phenylphenyl)-1,2,4-triazol-4-yl]phenol
CID 11537712

Frequently Asked Questions

What is the IUPAC name of 2-[2-phenyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]phenol?
The IUPAC name of 2-[2-phenyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]phenol (CID 135419167) is 2-[2-phenyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]phenol.
What is the SMILES notation for 2-[2-phenyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]phenol?
The canonical SMILES for 2-[2-phenyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]phenol is Oc1ccccc1-c1nc(/C=C/c2ccccc2)nn1-c1ccccc1.
What is the InChIKey of 2-[2-phenyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]phenol?
The InChIKey is HJBOXJGETYZTCL-FOCLMDBBSA-N. The full InChI is InChI=1S/C22H17N3O/c26-20-14-8-7-13-19(20)22-23-21(16-15-17-9-3-1-4-10-17)24-25(22)18-11-5-2-6-12-18/h1-16,26H/b16-15+.
What are the key properties of 2-[2-phenyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]phenol?
2-[2-phenyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]phenol has a molecular weight of 339.40 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-phenyl-5-[(E)-2-phenylethenyl]-1,2,4-triazol-3-yl]phenol is sourced from PubChem (CID 135419167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).