1-[(E)-2,3-diphenylprop-2-enyl]triazole

C17H15N3 — CID 155524316

IUPAC1-[(E)-2,3-diphenylprop-2-enyl]triazole
SMILESC(=C(/Cn1ccnn1)c1ccccc1)\c1ccccc1
InChIInChI=1S/C17H15N3/c1-3-7-15(8-4-1)13-17(14-20-12-11-18-19-20)16-9-5-2-6-10-16/h1-13H,14H2/b17-13-
InChIKeyHRGDVJIJXNLPLL-LGMDPLHJSA-N
MW261.33 g/mol
LogP3.52
Rot. Bonds4

About 1-[(E)-2,3-diphenylprop-2-enyl]triazole

1-[(E)-2,3-diphenylprop-2-enyl]triazole (PubChem CID 155524316) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is 1-[(E)-2,3-diphenylprop-2-enyl]triazole.

Molecular Properties

Compound Name1-[(E)-2,3-diphenylprop-2-enyl]triazole
PubChem CID155524316
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name1-[(E)-2,3-diphenylprop-2-enyl]triazole
SMILESC(=C(/Cn1ccnn1)c1ccccc1)\c1ccccc1
InChIInChI=1S/C17H15N3/c1-3-7-15(8-4-1)13-17(14-20-12-11-18-19-20)16-9-5-2-6-10-16/h1-13H,14H2/b17-13-
InChIKeyHRGDVJIJXNLPLL-LGMDPLHJSA-N
XLogP3.52
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2,3-diphenylprop-2-enyl]triazole?
The IUPAC name of 1-[(E)-2,3-diphenylprop-2-enyl]triazole (CID 155524316) is 1-[(E)-2,3-diphenylprop-2-enyl]triazole.
What is the SMILES notation for 1-[(E)-2,3-diphenylprop-2-enyl]triazole?
The canonical SMILES for 1-[(E)-2,3-diphenylprop-2-enyl]triazole is C(=C(/Cn1ccnn1)c1ccccc1)\c1ccccc1.
What is the InChIKey of 1-[(E)-2,3-diphenylprop-2-enyl]triazole?
The InChIKey is HRGDVJIJXNLPLL-LGMDPLHJSA-N. The full InChI is InChI=1S/C17H15N3/c1-3-7-15(8-4-1)13-17(14-20-12-11-18-19-20)16-9-5-2-6-10-16/h1-13H,14H2/b17-13-.
What are the key properties of 1-[(E)-2,3-diphenylprop-2-enyl]triazole?
1-[(E)-2,3-diphenylprop-2-enyl]triazole has a molecular weight of 261.33 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2,3-diphenylprop-2-enyl]triazole is sourced from PubChem (CID 155524316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).