1-(2-phenyl-1-pyridin-4-ylethyl)benzotriazole

C19H16N4 — CID 3540925

IUPAC1-(2-phenyl-1-pyridin-4-ylethyl)benzotriazole
SMILESc1ccc(CC(c2ccncc2)n2nnc3ccccc32)cc1
InChIInChI=1S/C19H16N4/c1-2-6-15(7-3-1)14-19(16-10-12-20-13-11-16)23-18-9-5-4-8-17(18)21-22-23/h1-13,19H,14H2
InChIKeyUHIWXUOFXAFGKI-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.66
Rot. Bonds4

About 1-(2-phenyl-1-pyridin-4-ylethyl)benzotriazole

1-(2-phenyl-1-pyridin-4-ylethyl)benzotriazole (PubChem CID 3540925) has the molecular formula C19H16N4 and a molecular weight of 300.37 g/mol. Its IUPAC name is 1-(2-phenyl-1-pyridin-4-ylethyl)benzotriazole.

Molecular Properties

Compound Name1-(2-phenyl-1-pyridin-4-ylethyl)benzotriazole
PubChem CID3540925
Molecular FormulaC19H16N4
Molecular Weight300.37 g/mol
Exact Mass300.14
IUPAC Name1-(2-phenyl-1-pyridin-4-ylethyl)benzotriazole
SMILESc1ccc(CC(c2ccncc2)n2nnc3ccccc32)cc1
InChIInChI=1S/C19H16N4/c1-2-6-15(7-3-1)14-19(16-10-12-20-13-11-16)23-18-9-5-4-8-17(18)21-22-23/h1-13,19H,14H2
InChIKeyUHIWXUOFXAFGKI-UHFFFAOYSA-N
XLogP3.66
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,2-diphenylethyl)benzotriazole
CID 3713183
4-[1-(benzotriazol-1-yl)-2-phenylethyl]-N-methylaniline
CID 3714247
1-(1-diphenylphosphoryl-2-phenylethyl)benzotriazole
CID 3783348
[2-(benzotriazol-1-yl)-2-(4-fluorophenyl)ethyl]-trimethylsilane
CID 3827828
2-(benzotriazol-1-yl)-2-pyridin-4-yl-1-thiophen-2-ylethanone
CID 3803604
N-[(1S)-1-(benzotriazol-1-yl)-3-phenylpropyl]pyridine-4-carboxamide
CID 26789621
1-[3-(benzotriazol-1-yl)-1,3-dimethoxypropyl]benzotriazole
CID 3427901
1-(1-pyridin-2-ylpentyl)benzotriazole
CID 3562053
2-(6-methylbenzotriazol-1-yl)-2-phenylethanamine
CID 134208512
[benzotriazol-1-yl(phenyl)methyl]-tributylstannane
CID 3746336
1-[phenyl(pyridin-2-yl)methyl]benzotriazole
CID 44890324
2-(1,2-diphenylethyl)pyrazol-3-amine
CID 24708915

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenyl-1-pyridin-4-ylethyl)benzotriazole?
The IUPAC name of 1-(2-phenyl-1-pyridin-4-ylethyl)benzotriazole (CID 3540925) is 1-(2-phenyl-1-pyridin-4-ylethyl)benzotriazole.
What is the SMILES notation for 1-(2-phenyl-1-pyridin-4-ylethyl)benzotriazole?
The canonical SMILES for 1-(2-phenyl-1-pyridin-4-ylethyl)benzotriazole is c1ccc(CC(c2ccncc2)n2nnc3ccccc32)cc1.
What is the InChIKey of 1-(2-phenyl-1-pyridin-4-ylethyl)benzotriazole?
The InChIKey is UHIWXUOFXAFGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4/c1-2-6-15(7-3-1)14-19(16-10-12-20-13-11-16)23-18-9-5-4-8-17(18)21-22-23/h1-13,19H,14H2.
What are the key properties of 1-(2-phenyl-1-pyridin-4-ylethyl)benzotriazole?
1-(2-phenyl-1-pyridin-4-ylethyl)benzotriazole has a molecular weight of 300.37 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenyl-1-pyridin-4-ylethyl)benzotriazole is sourced from PubChem (CID 3540925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).