(Z)-2-(benzotriazol-1-yl)-1-phenyl-2-pyridin-2-ylethenol

C19H14N4O — CID 135717547

IUPAC(Z)-2-(benzotriazol-1-yl)-1-phenyl-2-pyridin-2-ylethenol
SMILESO/C(=C(/c1ccccn1)n1nnc2ccccc21)c1ccccc1
InChIInChI=1S/C19H14N4O/c24-19(14-8-2-1-3-9-14)18(16-11-6-7-13-20-16)23-17-12-5-4-10-15(17)21-22-23/h1-13,24H/b19-18-
InChIKeyOHSYACCYJYSDNH-HNENSFHCSA-N
MW314.35 g/mol
LogP3.76
Rot. Bonds3

About (Z)-2-(benzotriazol-1-yl)-1-phenyl-2-pyridin-2-ylethenol

(Z)-2-(benzotriazol-1-yl)-1-phenyl-2-pyridin-2-ylethenol (PubChem CID 135717547) has the molecular formula C19H14N4O and a molecular weight of 314.35 g/mol. Its IUPAC name is (Z)-2-(benzotriazol-1-yl)-1-phenyl-2-pyridin-2-ylethenol.

Molecular Properties

Compound Name(Z)-2-(benzotriazol-1-yl)-1-phenyl-2-pyridin-2-ylethenol
PubChem CID135717547
Molecular FormulaC19H14N4O
Molecular Weight314.35 g/mol
Exact Mass314.12
IUPAC Name(Z)-2-(benzotriazol-1-yl)-1-phenyl-2-pyridin-2-ylethenol
SMILESO/C(=C(/c1ccccn1)n1nnc2ccccc21)c1ccccc1
InChIInChI=1S/C19H14N4O/c24-19(14-8-2-1-3-9-14)18(16-11-6-7-13-20-16)23-17-12-5-4-10-15(17)21-22-23/h1-13,24H/b19-18-
InChIKeyOHSYACCYJYSDNH-HNENSFHCSA-N
XLogP3.76
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-(benzotriazol-1-yl)-1-(4-methylphenyl)-2-phenylethenamine
CID 10449065
(2E)-2-[benzotriazol-1-yl(phenyl)methylidene]-3,3-dimethylbutan-1-ol
CID 11012258
1-[(Z)-3,3-difluoro-1-phenylprop-1-enyl]benzotriazole
CID 156786178
2-(benzotriazol-1-yl)prop-2-enoic acid
CID 174497195
1-[(E)-2-(4-methylphenyl)-1-phenyl-3-phenylsulfanylprop-1-enyl]benzotriazole
CID 10873738
1-(1,4-diphenylbuta-1,3-dienyl)benzotriazole
CID 3851457
(E)-3-(benzotriazol-1-yl)-1-naphthalen-1-yl-2,3-diphenylprop-2-en-1-ol
CID 102168349
1-(1-cyclopropyl-3,3-diphenylpropa-1,2-dienyl)benzotriazole
CID 135064802
2-(benzotriazol-1-yl)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-one
CID 3786029
1-[(Z)-2-chloro-1-fluoroethenyl]benzotriazole
CID 134987646
N'-methylbenzotriazole-1-carboximidamide
CID 55282851
1-[(E)-2-(4-bromophenyl)-1-methoxy-2-phenylethenyl]benzotriazole
CID 10916514

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(benzotriazol-1-yl)-1-phenyl-2-pyridin-2-ylethenol?
The IUPAC name of (Z)-2-(benzotriazol-1-yl)-1-phenyl-2-pyridin-2-ylethenol (CID 135717547) is (Z)-2-(benzotriazol-1-yl)-1-phenyl-2-pyridin-2-ylethenol.
What is the SMILES notation for (Z)-2-(benzotriazol-1-yl)-1-phenyl-2-pyridin-2-ylethenol?
The canonical SMILES for (Z)-2-(benzotriazol-1-yl)-1-phenyl-2-pyridin-2-ylethenol is O/C(=C(/c1ccccn1)n1nnc2ccccc21)c1ccccc1.
What is the InChIKey of (Z)-2-(benzotriazol-1-yl)-1-phenyl-2-pyridin-2-ylethenol?
The InChIKey is OHSYACCYJYSDNH-HNENSFHCSA-N. The full InChI is InChI=1S/C19H14N4O/c24-19(14-8-2-1-3-9-14)18(16-11-6-7-13-20-16)23-17-12-5-4-10-15(17)21-22-23/h1-13,24H/b19-18-.
What are the key properties of (Z)-2-(benzotriazol-1-yl)-1-phenyl-2-pyridin-2-ylethenol?
(Z)-2-(benzotriazol-1-yl)-1-phenyl-2-pyridin-2-ylethenol has a molecular weight of 314.35 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(benzotriazol-1-yl)-1-phenyl-2-pyridin-2-ylethenol is sourced from PubChem (CID 135717547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).