2-phenyl-1,1-dipyridin-3-yl-2-(triazol-1-yl)ethanol

C20H17N5O — CID 66962339

IUPAC2-phenyl-1,1-dipyridin-3-yl-2-(triazol-1-yl)ethanol
SMILESOC(c1cccnc1)(c1cccnc1)C(c1ccccc1)n1ccnn1
InChIInChI=1S/C20H17N5O/c26-20(17-8-4-10-21-14-17,18-9-5-11-22-15-18)19(25-13-12-23-24-25)16-6-2-1-3-7-16/h1-15,19,26H
InChIKeyGQXGPQFIJFDODI-UHFFFAOYSA-N
MW343.39 g/mol
LogP2.59
Rot. Bonds5

About 2-phenyl-1,1-dipyridin-3-yl-2-(triazol-1-yl)ethanol

2-phenyl-1,1-dipyridin-3-yl-2-(triazol-1-yl)ethanol (PubChem CID 66962339) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 2-phenyl-1,1-dipyridin-3-yl-2-(triazol-1-yl)ethanol.

Molecular Properties

Compound Name2-phenyl-1,1-dipyridin-3-yl-2-(triazol-1-yl)ethanol
PubChem CID66962339
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name2-phenyl-1,1-dipyridin-3-yl-2-(triazol-1-yl)ethanol
SMILESOC(c1cccnc1)(c1cccnc1)C(c1ccccc1)n1ccnn1
InChIInChI=1S/C20H17N5O/c26-20(17-8-4-10-21-14-17,18-9-5-11-22-15-18)19(25-13-12-23-24-25)16-6-2-1-3-7-16/h1-15,19,26H
InChIKeyGQXGPQFIJFDODI-UHFFFAOYSA-N
XLogP2.59
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(1S,2R)-1-phenyl-1-pyridin-2-yl-2-pyridin-3-yl-2-(triazol-1-yl)ethanol
CID 67978270
ethyl 1-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)pyrazole-4-carboxylate
CID 91368257
2-(4-tert-butylphenyl)-1,1-dipyridin-3-yl-2-pyrrolidin-1-ylethanol
CID 66961853
2-(ethylamino)-2-phenyl-1,1-dipyridin-3-ylethanol
CID 66962752
1-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyrimidin-2-one
CID 67959177
1-[(1S)-1-phenylethyl]triazole
CID 175706857
2,2,2-trifluoro-N-[(1R)-2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl]acetamide
CID 87216450
N-[pyridin-3-yl(triazol-1-yl)methyl]acetamide
CID 91555217
2-(4-fluorophenyl)-2-(3-methylsulfanylazetidin-1-yl)-1,1-dipyridin-3-ylethanol
CID 66962922
4-(2-hydroxy-2,2-dipyridin-3-yl-1-pyrrolidin-1-ylethyl)-N,N-dimethylbenzamide
CID 66962391
tripyridin-3-ylmethanol
CID 177395677
3-[2,2-dipyridin-3-yl-1-(triazol-1-yl)ethyl]aniline
CID 67987247

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,1-dipyridin-3-yl-2-(triazol-1-yl)ethanol?
The IUPAC name of 2-phenyl-1,1-dipyridin-3-yl-2-(triazol-1-yl)ethanol (CID 66962339) is 2-phenyl-1,1-dipyridin-3-yl-2-(triazol-1-yl)ethanol.
What is the SMILES notation for 2-phenyl-1,1-dipyridin-3-yl-2-(triazol-1-yl)ethanol?
The canonical SMILES for 2-phenyl-1,1-dipyridin-3-yl-2-(triazol-1-yl)ethanol is OC(c1cccnc1)(c1cccnc1)C(c1ccccc1)n1ccnn1.
What is the InChIKey of 2-phenyl-1,1-dipyridin-3-yl-2-(triazol-1-yl)ethanol?
The InChIKey is GQXGPQFIJFDODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c26-20(17-8-4-10-21-14-17,18-9-5-11-22-15-18)19(25-13-12-23-24-25)16-6-2-1-3-7-16/h1-15,19,26H.
What are the key properties of 2-phenyl-1,1-dipyridin-3-yl-2-(triazol-1-yl)ethanol?
2-phenyl-1,1-dipyridin-3-yl-2-(triazol-1-yl)ethanol has a molecular weight of 343.39 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,1-dipyridin-3-yl-2-(triazol-1-yl)ethanol is sourced from PubChem (CID 66962339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).