1-[(E)-2-phenylethenyl]triazole

C10H9N3 — CID 19011167

IUPAC1-[(E)-2-phenylethenyl]triazole
SMILESC(=C/n1ccnn1)\c1ccccc1
InChIInChI=1S/C10H9N3/c1-2-4-10(5-3-1)6-8-13-9-7-11-12-13/h1-9H/b8-6+
InChIKeyOXFDDRSKGLWJHE-SOFGYWHQSA-N
MW171.20 g/mol
LogP1.91
Rot. Bonds2

About 1-[(E)-2-phenylethenyl]triazole

1-[(E)-2-phenylethenyl]triazole (PubChem CID 19011167) has the molecular formula C10H9N3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 1-[(E)-2-phenylethenyl]triazole.

Molecular Properties

Compound Name1-[(E)-2-phenylethenyl]triazole
PubChem CID19011167
Molecular FormulaC10H9N3
Molecular Weight171.20 g/mol
Exact Mass171.08
IUPAC Name1-[(E)-2-phenylethenyl]triazole
SMILESC(=C/n1ccnn1)\c1ccccc1
InChIInChI=1S/C10H9N3/c1-2-4-10(5-3-1)6-8-13-9-7-11-12-13/h1-9H/b8-6+
InChIKeyOXFDDRSKGLWJHE-SOFGYWHQSA-N
XLogP1.91
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(E)-2-phenylethenyl]triazole?
The IUPAC name of 1-[(E)-2-phenylethenyl]triazole (CID 19011167) is 1-[(E)-2-phenylethenyl]triazole.
What is the SMILES notation for 1-[(E)-2-phenylethenyl]triazole?
The canonical SMILES for 1-[(E)-2-phenylethenyl]triazole is C(=C/n1ccnn1)\c1ccccc1.
What is the InChIKey of 1-[(E)-2-phenylethenyl]triazole?
The InChIKey is OXFDDRSKGLWJHE-SOFGYWHQSA-N. The full InChI is InChI=1S/C10H9N3/c1-2-4-10(5-3-1)6-8-13-9-7-11-12-13/h1-9H/b8-6+.
What are the key properties of 1-[(E)-2-phenylethenyl]triazole?
1-[(E)-2-phenylethenyl]triazole has a molecular weight of 171.20 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-phenylethenyl]triazole is sourced from PubChem (CID 19011167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).