4-(2,3-difluorophenyl)-5-(2,4-dihydroxyphenyl)-1,2,4-triazolidin-3-one

C14H11F2N3O3 — CID 123787663

IUPAC4-(2,3-difluorophenyl)-5-(2,4-dihydroxyphenyl)-1,2,4-triazolidin-3-one
SMILESO=C1NNC(c2ccc(O)cc2O)N1c1cccc(F)c1F
InChIInChI=1S/C14H11F2N3O3/c15-9-2-1-3-10(12(9)16)19-13(17-18-14(19)22)8-5-4-7(20)6-11(8)21/h1-6,13,17,20-21H,(H,18,22)
InChIKeyKXBYIWFELBSXDU-UHFFFAOYSA-N
MW307.26 g/mol
LogP2.11
Rot. Bonds2

About 4-(2,3-difluorophenyl)-5-(2,4-dihydroxyphenyl)-1,2,4-triazolidin-3-one

4-(2,3-difluorophenyl)-5-(2,4-dihydroxyphenyl)-1,2,4-triazolidin-3-one (PubChem CID 123787663) has the molecular formula C14H11F2N3O3 and a molecular weight of 307.26 g/mol. Its IUPAC name is 4-(2,3-difluorophenyl)-5-(2,4-dihydroxyphenyl)-1,2,4-triazolidin-3-one.

Molecular Properties

Compound Name4-(2,3-difluorophenyl)-5-(2,4-dihydroxyphenyl)-1,2,4-triazolidin-3-one
PubChem CID123787663
Molecular FormulaC14H11F2N3O3
Molecular Weight307.26 g/mol
Exact Mass307.08
IUPAC Name4-(2,3-difluorophenyl)-5-(2,4-dihydroxyphenyl)-1,2,4-triazolidin-3-one
SMILESO=C1NNC(c2ccc(O)cc2O)N1c1cccc(F)c1F
InChIInChI=1S/C14H11F2N3O3/c15-9-2-1-3-10(12(9)16)19-13(17-18-14(19)22)8-5-4-7(20)6-11(8)21/h1-6,13,17,20-21H,(H,18,22)
InChIKeyKXBYIWFELBSXDU-UHFFFAOYSA-N
XLogP2.11
TPSA84.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.26
LogP ≤ 52.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

Analyze 4-(2,3-difluorophenyl)-5-(2,4-dihydroxyphenyl)-1,2,4-triazolidin-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 4-(2,3-difluorophenyl)-5-(2,4-dihydroxyphenyl)-1,2,4-triazolidin-3-one?
The IUPAC name of 4-(2,3-difluorophenyl)-5-(2,4-dihydroxyphenyl)-1,2,4-triazolidin-3-one (CID 123787663) is 4-(2,3-difluorophenyl)-5-(2,4-dihydroxyphenyl)-1,2,4-triazolidin-3-one.
What is the SMILES notation for 4-(2,3-difluorophenyl)-5-(2,4-dihydroxyphenyl)-1,2,4-triazolidin-3-one?
The canonical SMILES for 4-(2,3-difluorophenyl)-5-(2,4-dihydroxyphenyl)-1,2,4-triazolidin-3-one is O=C1NNC(c2ccc(O)cc2O)N1c1cccc(F)c1F.
What is the InChIKey of 4-(2,3-difluorophenyl)-5-(2,4-dihydroxyphenyl)-1,2,4-triazolidin-3-one?
The InChIKey is KXBYIWFELBSXDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3O3/c15-9-2-1-3-10(12(9)16)19-13(17-18-14(19)22)8-5-4-7(20)6-11(8)21/h1-6,13,17,20-21H,(H,18,22).
What are the key properties of 4-(2,3-difluorophenyl)-5-(2,4-dihydroxyphenyl)-1,2,4-triazolidin-3-one?
4-(2,3-difluorophenyl)-5-(2,4-dihydroxyphenyl)-1,2,4-triazolidin-3-one has a molecular weight of 307.26 g/mol, XLogP of 2.11, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-difluorophenyl)-5-(2,4-dihydroxyphenyl)-1,2,4-triazolidin-3-one is sourced from PubChem (CID 123787663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).