[3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]azetidin-1-yl]-(2-phenylphenyl)methanone

C20H20N4O2 — CID 97342668

IUPAC[3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]azetidin-1-yl]-(2-phenylphenyl)methanone
SMILESC[C@@H](O)c1cn(C2CN(C(=O)c3ccccc3-c3ccccc3)C2)nn1
InChIInChI=1S/C20H20N4O2/c1-14(25)19-13-24(22-21-19)16-11-23(12-16)20(26)18-10-6-5-9-17(18)15-7-3-2-4-8-15/h2-10,13-14,16,25H,11-12H2,1H3/t14-/m1/s1
InChIKeyFVXLSCPOFOBRSO-CQSZACIVSA-N
MW348.41 g/mol
LogP2.70
Rot. Bonds4

About [3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]azetidin-1-yl]-(2-phenylphenyl)methanone

[3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]azetidin-1-yl]-(2-phenylphenyl)methanone (PubChem CID 97342668) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is [3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]azetidin-1-yl]-(2-phenylphenyl)methanone.

Molecular Properties

Compound Name[3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]azetidin-1-yl]-(2-phenylphenyl)methanone
PubChem CID97342668
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name[3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]azetidin-1-yl]-(2-phenylphenyl)methanone
SMILESC[C@@H](O)c1cn(C2CN(C(=O)c3ccccc3-c3ccccc3)C2)nn1
InChIInChI=1S/C20H20N4O2/c1-14(25)19-13-24(22-21-19)16-11-23(12-16)20(26)18-10-6-5-9-17(18)15-7-3-2-4-8-15/h2-10,13-14,16,25H,11-12H2,1H3/t14-/m1/s1
InChIKeyFVXLSCPOFOBRSO-CQSZACIVSA-N
XLogP2.70
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]azetidin-1-yl]-(2-phenylphenyl)methanone?
The IUPAC name of [3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]azetidin-1-yl]-(2-phenylphenyl)methanone (CID 97342668) is [3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]azetidin-1-yl]-(2-phenylphenyl)methanone.
What is the SMILES notation for [3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]azetidin-1-yl]-(2-phenylphenyl)methanone?
The canonical SMILES for [3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]azetidin-1-yl]-(2-phenylphenyl)methanone is C[C@@H](O)c1cn(C2CN(C(=O)c3ccccc3-c3ccccc3)C2)nn1.
What is the InChIKey of [3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]azetidin-1-yl]-(2-phenylphenyl)methanone?
The InChIKey is FVXLSCPOFOBRSO-CQSZACIVSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-14(25)19-13-24(22-21-19)16-11-23(12-16)20(26)18-10-6-5-9-17(18)15-7-3-2-4-8-15/h2-10,13-14,16,25H,11-12H2,1H3/t14-/m1/s1.
What are the key properties of [3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]azetidin-1-yl]-(2-phenylphenyl)methanone?
[3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]azetidin-1-yl]-(2-phenylphenyl)methanone has a molecular weight of 348.41 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[(1R)-1-hydroxyethyl]triazol-1-yl]azetidin-1-yl]-(2-phenylphenyl)methanone is sourced from PubChem (CID 97342668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).