[(1R,2R)-1,2-diphenyl-3-(triazol-1-yl)propyl] acetate

C19H19N3O2 — CID 56835178

IUPAC[(1R,2R)-1,2-diphenyl-3-(triazol-1-yl)propyl] acetate
SMILESCC(=O)O[C@@H](c1ccccc1)[C@@H](Cn1ccnn1)c1ccccc1
InChIInChI=1S/C19H19N3O2/c1-15(23)24-19(17-10-6-3-7-11-17)18(14-22-13-12-20-21-22)16-8-4-2-5-9-16/h2-13,18-19H,14H2,1H3/t18-,19-/m0/s1
InChIKeySAENKYVBAKDRBL-OALUTQOASA-N
MW321.38 g/mol
LogP3.37
Rot. Bonds6

About [(1R,2R)-1,2-diphenyl-3-(triazol-1-yl)propyl] acetate

[(1R,2R)-1,2-diphenyl-3-(triazol-1-yl)propyl] acetate (PubChem CID 56835178) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is [(1R,2R)-1,2-diphenyl-3-(triazol-1-yl)propyl] acetate.

Molecular Properties

Compound Name[(1R,2R)-1,2-diphenyl-3-(triazol-1-yl)propyl] acetate
PubChem CID56835178
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name[(1R,2R)-1,2-diphenyl-3-(triazol-1-yl)propyl] acetate
SMILESCC(=O)O[C@@H](c1ccccc1)[C@@H](Cn1ccnn1)c1ccccc1
InChIInChI=1S/C19H19N3O2/c1-15(23)24-19(17-10-6-3-7-11-17)18(14-22-13-12-20-21-22)16-8-4-2-5-9-16/h2-13,18-19H,14H2,1H3/t18-,19-/m0/s1
InChIKeySAENKYVBAKDRBL-OALUTQOASA-N
XLogP3.37
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(1R,2R)-1,2-diphenyl-3-(triazol-1-yl)propyl] acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-1,2-diphenyl-3-(triazol-1-yl)propyl] acetate?
The IUPAC name of [(1R,2R)-1,2-diphenyl-3-(triazol-1-yl)propyl] acetate (CID 56835178) is [(1R,2R)-1,2-diphenyl-3-(triazol-1-yl)propyl] acetate.
What is the SMILES notation for [(1R,2R)-1,2-diphenyl-3-(triazol-1-yl)propyl] acetate?
The canonical SMILES for [(1R,2R)-1,2-diphenyl-3-(triazol-1-yl)propyl] acetate is CC(=O)O[C@@H](c1ccccc1)[C@@H](Cn1ccnn1)c1ccccc1.
What is the InChIKey of [(1R,2R)-1,2-diphenyl-3-(triazol-1-yl)propyl] acetate?
The InChIKey is SAENKYVBAKDRBL-OALUTQOASA-N. The full InChI is InChI=1S/C19H19N3O2/c1-15(23)24-19(17-10-6-3-7-11-17)18(14-22-13-12-20-21-22)16-8-4-2-5-9-16/h2-13,18-19H,14H2,1H3/t18-,19-/m0/s1.
What are the key properties of [(1R,2R)-1,2-diphenyl-3-(triazol-1-yl)propyl] acetate?
[(1R,2R)-1,2-diphenyl-3-(triazol-1-yl)propyl] acetate has a molecular weight of 321.38 g/mol, XLogP of 3.37, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-1,2-diphenyl-3-(triazol-1-yl)propyl] acetate is sourced from PubChem (CID 56835178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).