1-[(Z)-2,3-diphenylprop-2-enyl]-1,2,4-triazole

C17H15N3 — CID 91983064

IUPAC1-[(Z)-2,3-diphenylprop-2-enyl]-1,2,4-triazole
SMILESC(=C(\Cn1cncn1)c1ccccc1)\c1ccccc1
InChIInChI=1S/C17H15N3/c1-3-7-15(8-4-1)11-17(12-20-14-18-13-19-20)16-9-5-2-6-10-16/h1-11,13-14H,12H2/b17-11+
InChIKeyJZIVAIIDXPQMJN-GZTJUZNOSA-N
MW261.33 g/mol
LogP3.52
Rot. Bonds4

About 1-[(Z)-2,3-diphenylprop-2-enyl]-1,2,4-triazole

1-[(Z)-2,3-diphenylprop-2-enyl]-1,2,4-triazole (PubChem CID 91983064) has the molecular formula C17H15N3 and a molecular weight of 261.33 g/mol. Its IUPAC name is 1-[(Z)-2,3-diphenylprop-2-enyl]-1,2,4-triazole.

Molecular Properties

Compound Name1-[(Z)-2,3-diphenylprop-2-enyl]-1,2,4-triazole
PubChem CID91983064
Molecular FormulaC17H15N3
Molecular Weight261.33 g/mol
Exact Mass261.13
IUPAC Name1-[(Z)-2,3-diphenylprop-2-enyl]-1,2,4-triazole
SMILESC(=C(\Cn1cncn1)c1ccccc1)\c1ccccc1
InChIInChI=1S/C17H15N3/c1-3-7-15(8-4-1)11-17(12-20-14-18-13-19-20)16-9-5-2-6-10-16/h1-11,13-14H,12H2/b17-11+
InChIKeyJZIVAIIDXPQMJN-GZTJUZNOSA-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-[(Z)-2,3-diphenylprop-2-enyl]-1,2,4-triazole?
The IUPAC name of 1-[(Z)-2,3-diphenylprop-2-enyl]-1,2,4-triazole (CID 91983064) is 1-[(Z)-2,3-diphenylprop-2-enyl]-1,2,4-triazole.
What is the SMILES notation for 1-[(Z)-2,3-diphenylprop-2-enyl]-1,2,4-triazole?
The canonical SMILES for 1-[(Z)-2,3-diphenylprop-2-enyl]-1,2,4-triazole is C(=C(\Cn1cncn1)c1ccccc1)\c1ccccc1.
What is the InChIKey of 1-[(Z)-2,3-diphenylprop-2-enyl]-1,2,4-triazole?
The InChIKey is JZIVAIIDXPQMJN-GZTJUZNOSA-N. The full InChI is InChI=1S/C17H15N3/c1-3-7-15(8-4-1)11-17(12-20-14-18-13-19-20)16-9-5-2-6-10-16/h1-11,13-14H,12H2/b17-11+.
What are the key properties of 1-[(Z)-2,3-diphenylprop-2-enyl]-1,2,4-triazole?
1-[(Z)-2,3-diphenylprop-2-enyl]-1,2,4-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-[(Z)-2,3-diphenylprop-2-enyl]-1,2,4-triazole is sourced from PubChem (CID 91983064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).