(1S,2R)-1,2-diphenyl-3-(triazol-1-yl)propan-1-ol

C17H17N3O — CID 56835179

IUPAC(1S,2R)-1,2-diphenyl-3-(triazol-1-yl)propan-1-ol
SMILESO[C@H](c1ccccc1)[C@@H](Cn1ccnn1)c1ccccc1
InChIInChI=1S/C17H17N3O/c21-17(15-9-5-2-6-10-15)16(13-20-12-11-18-19-20)14-7-3-1-4-8-14/h1-12,16-17,21H,13H2/t16-,17+/m0/s1
InChIKeyAOUFLDFQEMUYCL-DLBZAZTESA-N
MW279.34 g/mol
LogP2.80
Rot. Bonds5

About (1S,2R)-1,2-diphenyl-3-(triazol-1-yl)propan-1-ol

(1S,2R)-1,2-diphenyl-3-(triazol-1-yl)propan-1-ol (PubChem CID 56835179) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is (1S,2R)-1,2-diphenyl-3-(triazol-1-yl)propan-1-ol.

Molecular Properties

Compound Name(1S,2R)-1,2-diphenyl-3-(triazol-1-yl)propan-1-ol
PubChem CID56835179
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name(1S,2R)-1,2-diphenyl-3-(triazol-1-yl)propan-1-ol
SMILESO[C@H](c1ccccc1)[C@@H](Cn1ccnn1)c1ccccc1
InChIInChI=1S/C17H17N3O/c21-17(15-9-5-2-6-10-15)16(13-20-12-11-18-19-20)14-7-3-1-4-8-14/h1-12,16-17,21H,13H2/t16-,17+/m0/s1
InChIKeyAOUFLDFQEMUYCL-DLBZAZTESA-N
XLogP2.80
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1,2-diphenyl-3-(triazol-1-yl)propan-1-ol?
The IUPAC name of (1S,2R)-1,2-diphenyl-3-(triazol-1-yl)propan-1-ol (CID 56835179) is (1S,2R)-1,2-diphenyl-3-(triazol-1-yl)propan-1-ol.
What is the SMILES notation for (1S,2R)-1,2-diphenyl-3-(triazol-1-yl)propan-1-ol?
The canonical SMILES for (1S,2R)-1,2-diphenyl-3-(triazol-1-yl)propan-1-ol is O[C@H](c1ccccc1)[C@@H](Cn1ccnn1)c1ccccc1.
What is the InChIKey of (1S,2R)-1,2-diphenyl-3-(triazol-1-yl)propan-1-ol?
The InChIKey is AOUFLDFQEMUYCL-DLBZAZTESA-N. The full InChI is InChI=1S/C17H17N3O/c21-17(15-9-5-2-6-10-15)16(13-20-12-11-18-19-20)14-7-3-1-4-8-14/h1-12,16-17,21H,13H2/t16-,17+/m0/s1.
What are the key properties of (1S,2R)-1,2-diphenyl-3-(triazol-1-yl)propan-1-ol?
(1S,2R)-1,2-diphenyl-3-(triazol-1-yl)propan-1-ol has a molecular weight of 279.34 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1,2-diphenyl-3-(triazol-1-yl)propan-1-ol is sourced from PubChem (CID 56835179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).