5-(3-fluorophenyl)-2-[4-(2-morpholin-4-ylethyl)phenyl]-4H-1,2,4-triazol-3-one

C20H21FN4O2 — CID 136642751

IUPAC5-(3-fluorophenyl)-2-[4-(2-morpholin-4-ylethyl)phenyl]-4H-1,2,4-triazol-3-one
SMILESO=c1[nH]c(-c2cccc(F)c2)nn1-c1ccc(CCN2CCOCC2)cc1
InChIInChI=1S/C20H21FN4O2/c21-17-3-1-2-16(14-17)19-22-20(26)25(23-19)18-6-4-15(5-7-18)8-9-24-10-12-27-13-11-24/h1-7,14H,8-13H2,(H,22,23,26)
InChIKeyCOXKIVZRQYYKPJ-UHFFFAOYSA-N
MW368.41 g/mol
LogP2.24
Rot. Bonds5

About 5-(3-fluorophenyl)-2-[4-(2-morpholin-4-ylethyl)phenyl]-4H-1,2,4-triazol-3-one

5-(3-fluorophenyl)-2-[4-(2-morpholin-4-ylethyl)phenyl]-4H-1,2,4-triazol-3-one (PubChem CID 136642751) has the molecular formula C20H21FN4O2 and a molecular weight of 368.41 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-2-[4-(2-morpholin-4-ylethyl)phenyl]-4H-1,2,4-triazol-3-one.

Molecular Properties

Compound Name5-(3-fluorophenyl)-2-[4-(2-morpholin-4-ylethyl)phenyl]-4H-1,2,4-triazol-3-one
PubChem CID136642751
Molecular FormulaC20H21FN4O2
Molecular Weight368.41 g/mol
Exact Mass368.16
IUPAC Name5-(3-fluorophenyl)-2-[4-(2-morpholin-4-ylethyl)phenyl]-4H-1,2,4-triazol-3-one
SMILESO=c1[nH]c(-c2cccc(F)c2)nn1-c1ccc(CCN2CCOCC2)cc1
InChIInChI=1S/C20H21FN4O2/c21-17-3-1-2-16(14-17)19-22-20(26)25(23-19)18-6-4-15(5-7-18)8-9-24-10-12-27-13-11-24/h1-7,14H,8-13H2,(H,22,23,26)
InChIKeyCOXKIVZRQYYKPJ-UHFFFAOYSA-N
XLogP2.24
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(3-fluorophenyl)-2-[4-(2-morpholin-4-ylethyl)phenyl]-4H-1,2,4-triazol-3-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-(3-fluorophenyl)-2-[4-(2-morpholin-4-ylethyl)phenyl]-4H-1,2,4-triazol-3-one?
The IUPAC name of 5-(3-fluorophenyl)-2-[4-(2-morpholin-4-ylethyl)phenyl]-4H-1,2,4-triazol-3-one (CID 136642751) is 5-(3-fluorophenyl)-2-[4-(2-morpholin-4-ylethyl)phenyl]-4H-1,2,4-triazol-3-one.
What is the SMILES notation for 5-(3-fluorophenyl)-2-[4-(2-morpholin-4-ylethyl)phenyl]-4H-1,2,4-triazol-3-one?
The canonical SMILES for 5-(3-fluorophenyl)-2-[4-(2-morpholin-4-ylethyl)phenyl]-4H-1,2,4-triazol-3-one is O=c1[nH]c(-c2cccc(F)c2)nn1-c1ccc(CCN2CCOCC2)cc1.
What is the InChIKey of 5-(3-fluorophenyl)-2-[4-(2-morpholin-4-ylethyl)phenyl]-4H-1,2,4-triazol-3-one?
The InChIKey is COXKIVZRQYYKPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O2/c21-17-3-1-2-16(14-17)19-22-20(26)25(23-19)18-6-4-15(5-7-18)8-9-24-10-12-27-13-11-24/h1-7,14H,8-13H2,(H,22,23,26).
What are the key properties of 5-(3-fluorophenyl)-2-[4-(2-morpholin-4-ylethyl)phenyl]-4H-1,2,4-triazol-3-one?
5-(3-fluorophenyl)-2-[4-(2-morpholin-4-ylethyl)phenyl]-4H-1,2,4-triazol-3-one has a molecular weight of 368.41 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-2-[4-(2-morpholin-4-ylethyl)phenyl]-4H-1,2,4-triazol-3-one is sourced from PubChem (CID 136642751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).