1-[(2R,3S)-3-(methoxymethoxy)-2,3-diphenylpropyl]triazole

C19H21N3O2 — CID 57403795

IUPAC1-[(2R,3S)-3-(methoxymethoxy)-2,3-diphenylpropyl]triazole
SMILESCOCO[C@H](c1ccccc1)[C@@H](Cn1ccnn1)c1ccccc1
InChIInChI=1S/C19H21N3O2/c1-23-15-24-19(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,14-15H2,1H3/t18-,19+/m0/s1
InChIKeyUGGLYQWQTKDJNR-RBUKOAKNSA-N
MW323.40 g/mol
LogP3.42
Rot. Bonds8

About 1-[(2R,3S)-3-(methoxymethoxy)-2,3-diphenylpropyl]triazole

1-[(2R,3S)-3-(methoxymethoxy)-2,3-diphenylpropyl]triazole (PubChem CID 57403795) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1-[(2R,3S)-3-(methoxymethoxy)-2,3-diphenylpropyl]triazole.

Molecular Properties

Compound Name1-[(2R,3S)-3-(methoxymethoxy)-2,3-diphenylpropyl]triazole
PubChem CID57403795
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name1-[(2R,3S)-3-(methoxymethoxy)-2,3-diphenylpropyl]triazole
SMILESCOCO[C@H](c1ccccc1)[C@@H](Cn1ccnn1)c1ccccc1
InChIInChI=1S/C19H21N3O2/c1-23-15-24-19(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,14-15H2,1H3/t18-,19+/m0/s1
InChIKeyUGGLYQWQTKDJNR-RBUKOAKNSA-N
XLogP3.42
TPSA49.17 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3S)-3-(methoxymethoxy)-2,3-diphenylpropyl]triazole?
The IUPAC name of 1-[(2R,3S)-3-(methoxymethoxy)-2,3-diphenylpropyl]triazole (CID 57403795) is 1-[(2R,3S)-3-(methoxymethoxy)-2,3-diphenylpropyl]triazole.
What is the SMILES notation for 1-[(2R,3S)-3-(methoxymethoxy)-2,3-diphenylpropyl]triazole?
The canonical SMILES for 1-[(2R,3S)-3-(methoxymethoxy)-2,3-diphenylpropyl]triazole is COCO[C@H](c1ccccc1)[C@@H](Cn1ccnn1)c1ccccc1.
What is the InChIKey of 1-[(2R,3S)-3-(methoxymethoxy)-2,3-diphenylpropyl]triazole?
The InChIKey is UGGLYQWQTKDJNR-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H21N3O2/c1-23-15-24-19(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,14-15H2,1H3/t18-,19+/m0/s1.
What are the key properties of 1-[(2R,3S)-3-(methoxymethoxy)-2,3-diphenylpropyl]triazole?
1-[(2R,3S)-3-(methoxymethoxy)-2,3-diphenylpropyl]triazole has a molecular weight of 323.40 g/mol, XLogP of 3.42, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3S)-3-(methoxymethoxy)-2,3-diphenylpropyl]triazole is sourced from PubChem (CID 57403795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).