4-[(E)-2-[4-(3-chlorophenyl)phenyl]ethenyl]-2H-triazole

C16H12ClN3 — CID 155653363

IUPAC4-[(E)-2-[4-(3-chlorophenyl)phenyl]ethenyl]-2H-triazole
SMILESClc1cccc(-c2ccc(/C=C/c3cn[nH]n3)cc2)c1
InChIInChI=1S/C16H12ClN3/c17-15-3-1-2-14(10-15)13-7-4-12(5-8-13)6-9-16-11-18-20-19-16/h1-11H,(H,18,19,20)/b9-6+
InChIKeyLUJCUUKWCFSYHH-RMKNXTFCSA-N
MW281.75 g/mol
LogP4.30
Rot. Bonds3

About 4-[(E)-2-[4-(3-chlorophenyl)phenyl]ethenyl]-2H-triazole

4-[(E)-2-[4-(3-chlorophenyl)phenyl]ethenyl]-2H-triazole (PubChem CID 155653363) has the molecular formula C16H12ClN3 and a molecular weight of 281.75 g/mol. Its IUPAC name is 4-[(E)-2-[4-(3-chlorophenyl)phenyl]ethenyl]-2H-triazole.

Molecular Properties

Compound Name4-[(E)-2-[4-(3-chlorophenyl)phenyl]ethenyl]-2H-triazole
PubChem CID155653363
Molecular FormulaC16H12ClN3
Molecular Weight281.75 g/mol
Exact Mass281.07
IUPAC Name4-[(E)-2-[4-(3-chlorophenyl)phenyl]ethenyl]-2H-triazole
SMILESClc1cccc(-c2ccc(/C=C/c3cn[nH]n3)cc2)c1
InChIInChI=1S/C16H12ClN3/c17-15-3-1-2-14(10-15)13-7-4-12(5-8-13)6-9-16-11-18-20-19-16/h1-11H,(H,18,19,20)/b9-6+
InChIKeyLUJCUUKWCFSYHH-RMKNXTFCSA-N
XLogP4.30
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.75
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-[(E)-2-[4-(3-chlorophenyl)phenyl]ethenyl]-2H-triazole 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 4-[(E)-2-[4-(3-chlorophenyl)phenyl]ethenyl]-2H-triazole?
The IUPAC name of 4-[(E)-2-[4-(3-chlorophenyl)phenyl]ethenyl]-2H-triazole (CID 155653363) is 4-[(E)-2-[4-(3-chlorophenyl)phenyl]ethenyl]-2H-triazole.
What is the SMILES notation for 4-[(E)-2-[4-(3-chlorophenyl)phenyl]ethenyl]-2H-triazole?
The canonical SMILES for 4-[(E)-2-[4-(3-chlorophenyl)phenyl]ethenyl]-2H-triazole is Clc1cccc(-c2ccc(/C=C/c3cn[nH]n3)cc2)c1.
What is the InChIKey of 4-[(E)-2-[4-(3-chlorophenyl)phenyl]ethenyl]-2H-triazole?
The InChIKey is LUJCUUKWCFSYHH-RMKNXTFCSA-N. The full InChI is InChI=1S/C16H12ClN3/c17-15-3-1-2-14(10-15)13-7-4-12(5-8-13)6-9-16-11-18-20-19-16/h1-11H,(H,18,19,20)/b9-6+.
What are the key properties of 4-[(E)-2-[4-(3-chlorophenyl)phenyl]ethenyl]-2H-triazole?
4-[(E)-2-[4-(3-chlorophenyl)phenyl]ethenyl]-2H-triazole has a molecular weight of 281.75 g/mol, XLogP of 4.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-[4-(3-chlorophenyl)phenyl]ethenyl]-2H-triazole is sourced from PubChem (CID 155653363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).