1-[(E)-2-pyridin-2-ylethenyl]benzotriazole

C13H10N4 — CID 24892260

IUPAC1-[(E)-2-pyridin-2-ylethenyl]benzotriazole
SMILESC(=C/n1nnc2ccccc21)\c1ccccn1
InChIInChI=1S/C13H10N4/c1-2-7-13-12(6-1)15-16-17(13)10-8-11-5-3-4-9-14-11/h1-10H/b10-8+
InChIKeyUMOVCZMOBGPKME-CSKARUKUSA-N
MW222.25 g/mol
LogP2.45
Rot. Bonds2

About 1-[(E)-2-pyridin-2-ylethenyl]benzotriazole

1-[(E)-2-pyridin-2-ylethenyl]benzotriazole (PubChem CID 24892260) has the molecular formula C13H10N4 and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-[(E)-2-pyridin-2-ylethenyl]benzotriazole.

Molecular Properties

Compound Name1-[(E)-2-pyridin-2-ylethenyl]benzotriazole
PubChem CID24892260
Molecular FormulaC13H10N4
Molecular Weight222.25 g/mol
Exact Mass222.09
IUPAC Name1-[(E)-2-pyridin-2-ylethenyl]benzotriazole
SMILESC(=C/n1nnc2ccccc21)\c1ccccn1
InChIInChI=1S/C13H10N4/c1-2-7-13-12(6-1)15-16-17(13)10-8-11-5-3-4-9-14-11/h1-10H/b10-8+
InChIKeyUMOVCZMOBGPKME-CSKARUKUSA-N
XLogP2.45
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(E)-2-pyridin-2-ylethenyl]benzotriazole 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 1-[(E)-2-pyridin-2-ylethenyl]benzotriazole?
The IUPAC name of 1-[(E)-2-pyridin-2-ylethenyl]benzotriazole (CID 24892260) is 1-[(E)-2-pyridin-2-ylethenyl]benzotriazole.
What is the SMILES notation for 1-[(E)-2-pyridin-2-ylethenyl]benzotriazole?
The canonical SMILES for 1-[(E)-2-pyridin-2-ylethenyl]benzotriazole is C(=C/n1nnc2ccccc21)\c1ccccn1.
What is the InChIKey of 1-[(E)-2-pyridin-2-ylethenyl]benzotriazole?
The InChIKey is UMOVCZMOBGPKME-CSKARUKUSA-N. The full InChI is InChI=1S/C13H10N4/c1-2-7-13-12(6-1)15-16-17(13)10-8-11-5-3-4-9-14-11/h1-10H/b10-8+.
What are the key properties of 1-[(E)-2-pyridin-2-ylethenyl]benzotriazole?
1-[(E)-2-pyridin-2-ylethenyl]benzotriazole has a molecular weight of 222.25 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-2-pyridin-2-ylethenyl]benzotriazole is sourced from PubChem (CID 24892260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).