(1S,2R)-1-phenyl-1-pyridin-2-yl-2-pyridin-3-yl-2-(triazol-1-yl)ethanol

C20H17N5O — CID 67978270

IUPAC(1S,2R)-1-phenyl-1-pyridin-2-yl-2-pyridin-3-yl-2-(triazol-1-yl)ethanol
SMILESO[C@](c1ccccc1)(c1ccccn1)[C@@H](c1cccnc1)n1ccnn1
InChIInChI=1S/C20H17N5O/c26-20(17-8-2-1-3-9-17,18-10-4-5-12-22-18)19(25-14-13-23-24-25)16-7-6-11-21-15-16/h1-15,19,26H/t19-,20-/m1/s1
InChIKeyQQUDKVBLDFBNBU-WOJBJXKFSA-N
MW343.39 g/mol
LogP2.59
Rot. Bonds5

About (1S,2R)-1-phenyl-1-pyridin-2-yl-2-pyridin-3-yl-2-(triazol-1-yl)ethanol

(1S,2R)-1-phenyl-1-pyridin-2-yl-2-pyridin-3-yl-2-(triazol-1-yl)ethanol (PubChem CID 67978270) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is (1S,2R)-1-phenyl-1-pyridin-2-yl-2-pyridin-3-yl-2-(triazol-1-yl)ethanol.

Molecular Properties

Compound Name(1S,2R)-1-phenyl-1-pyridin-2-yl-2-pyridin-3-yl-2-(triazol-1-yl)ethanol
PubChem CID67978270
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name(1S,2R)-1-phenyl-1-pyridin-2-yl-2-pyridin-3-yl-2-(triazol-1-yl)ethanol
SMILESO[C@](c1ccccc1)(c1ccccn1)[C@@H](c1cccnc1)n1ccnn1
InChIInChI=1S/C20H17N5O/c26-20(17-8-2-1-3-9-17,18-10-4-5-12-22-18)19(25-14-13-23-24-25)16-7-6-11-21-15-16/h1-15,19,26H/t19-,20-/m1/s1
InChIKeyQQUDKVBLDFBNBU-WOJBJXKFSA-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

2-phenyl-1,1-dipyridin-3-yl-2-(triazol-1-yl)ethanol
CID 66962339
1-(2-hydroxy-2-phenyl-2-pyridin-2-yl-1-pyridin-3-ylethyl)pyridin-2-one
CID 11530783
1,2,2-tripyridin-3-yl-1-pyrimidin-4-ylethanol
CID 11559467
ethyl 1-(2-hydroxy-1-phenyl-2,2-dipyridin-3-ylethyl)pyrazole-4-carboxylate
CID 91368257
N-[pyridin-3-yl(triazol-1-yl)methyl]acetamide
CID 91555217
1-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]pyrimidin-2-one
CID 67959177
(1R,2R)-1-phenyl-1-pyridin-2-yl-2-pyridin-3-ylpropan-2-ol
CID 125488696
1-[(1S)-1-phenylethyl]triazole
CID 175706857
3-[2,2-dipyridin-3-yl-1-(triazol-1-yl)ethyl]aniline
CID 67987247
2-(4-tert-butylphenyl)-1,1-dipyridin-3-yl-2-pyrrolidin-1-ylethanol
CID 66961853
3-(2-hydroxy-1-pyridin-2-yl-2,2-dipyridin-3-ylethyl)-1,3-oxazolidin-2-one
CID 11545041
2-(ethylamino)-2-phenyl-1,1-dipyridin-3-ylethanol
CID 66962752

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-phenyl-1-pyridin-2-yl-2-pyridin-3-yl-2-(triazol-1-yl)ethanol?
The IUPAC name of (1S,2R)-1-phenyl-1-pyridin-2-yl-2-pyridin-3-yl-2-(triazol-1-yl)ethanol (CID 67978270) is (1S,2R)-1-phenyl-1-pyridin-2-yl-2-pyridin-3-yl-2-(triazol-1-yl)ethanol.
What is the SMILES notation for (1S,2R)-1-phenyl-1-pyridin-2-yl-2-pyridin-3-yl-2-(triazol-1-yl)ethanol?
The canonical SMILES for (1S,2R)-1-phenyl-1-pyridin-2-yl-2-pyridin-3-yl-2-(triazol-1-yl)ethanol is O[C@](c1ccccc1)(c1ccccn1)[C@@H](c1cccnc1)n1ccnn1.
What is the InChIKey of (1S,2R)-1-phenyl-1-pyridin-2-yl-2-pyridin-3-yl-2-(triazol-1-yl)ethanol?
The InChIKey is QQUDKVBLDFBNBU-WOJBJXKFSA-N. The full InChI is InChI=1S/C20H17N5O/c26-20(17-8-2-1-3-9-17,18-10-4-5-12-22-18)19(25-14-13-23-24-25)16-7-6-11-21-15-16/h1-15,19,26H/t19-,20-/m1/s1.
What are the key properties of (1S,2R)-1-phenyl-1-pyridin-2-yl-2-pyridin-3-yl-2-(triazol-1-yl)ethanol?
(1S,2R)-1-phenyl-1-pyridin-2-yl-2-pyridin-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 (1S,2R)-1-phenyl-1-pyridin-2-yl-2-pyridin-3-yl-2-(triazol-1-yl)ethanol is sourced from PubChem (CID 67978270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).