5-[1-(2-fluorophenyl)ethoxymethyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C20H17FN4O2 — CID 51352702

IUPAC5-[1-(2-fluorophenyl)ethoxymethyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(OCc1cc(=O)n2[nH]c(-c3ccccc3)nc2n1)c1ccccc1F
InChIInChI=1S/C20H17FN4O2/c1-13(16-9-5-6-10-17(16)21)27-12-15-11-18(26)25-20(22-15)23-19(24-25)14-7-3-2-4-8-14/h2-11,13H,12H2,1H3,(H,22,23,24)
InChIKeyUQTOYNPLPINBDG-UHFFFAOYSA-N
MW364.38 g/mol
LogP3.50
Rot. Bonds5

About 5-[1-(2-fluorophenyl)ethoxymethyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-[1-(2-fluorophenyl)ethoxymethyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 51352702) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is 5-[1-(2-fluorophenyl)ethoxymethyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-[1-(2-fluorophenyl)ethoxymethyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID51352702
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC Name5-[1-(2-fluorophenyl)ethoxymethyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESCC(OCc1cc(=O)n2[nH]c(-c3ccccc3)nc2n1)c1ccccc1F
InChIInChI=1S/C20H17FN4O2/c1-13(16-9-5-6-10-17(16)21)27-12-15-11-18(26)25-20(22-15)23-19(24-25)14-7-3-2-4-8-14/h2-11,13H,12H2,1H3,(H,22,23,24)
InChIKeyUQTOYNPLPINBDG-UHFFFAOYSA-N
XLogP3.50
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[1-(2-fluorophenyl)ethoxymethyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one 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 5-[1-(2-fluorophenyl)ethoxymethyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-[1-(2-fluorophenyl)ethoxymethyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 51352702) is 5-[1-(2-fluorophenyl)ethoxymethyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-[1-(2-fluorophenyl)ethoxymethyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-[1-(2-fluorophenyl)ethoxymethyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is CC(OCc1cc(=O)n2[nH]c(-c3ccccc3)nc2n1)c1ccccc1F.
What is the InChIKey of 5-[1-(2-fluorophenyl)ethoxymethyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is UQTOYNPLPINBDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c1-13(16-9-5-6-10-17(16)21)27-12-15-11-18(26)25-20(22-15)23-19(24-25)14-7-3-2-4-8-14/h2-11,13H,12H2,1H3,(H,22,23,24).
What are the key properties of 5-[1-(2-fluorophenyl)ethoxymethyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-[1-(2-fluorophenyl)ethoxymethyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 364.38 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-fluorophenyl)ethoxymethyl]-2-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 51352702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).