3-[5-(4-fluorophenyl)furan-2-yl]-1-(1H-1,2,4-triazol-5-yl)propane-1,2-dione

C15H10FN3O3 — CID 69139303

IUPAC3-[5-(4-fluorophenyl)furan-2-yl]-1-(1H-1,2,4-triazol-5-yl)propane-1,2-dione
SMILESO=C(Cc1ccc(-c2ccc(F)cc2)o1)C(=O)c1ncn[nH]1
InChIInChI=1S/C15H10FN3O3/c16-10-3-1-9(2-4-10)13-6-5-11(22-13)7-12(20)14(21)15-17-8-18-19-15/h1-6,8H,7H2,(H,17,18,19)
InChIKeyQJWAMIAAIDJJKS-UHFFFAOYSA-N
MW299.26 g/mol
LogP2.20
Rot. Bonds5

About 3-[5-(4-fluorophenyl)furan-2-yl]-1-(1H-1,2,4-triazol-5-yl)propane-1,2-dione

3-[5-(4-fluorophenyl)furan-2-yl]-1-(1H-1,2,4-triazol-5-yl)propane-1,2-dione (PubChem CID 69139303) has the molecular formula C15H10FN3O3 and a molecular weight of 299.26 g/mol. Its IUPAC name is 3-[5-(4-fluorophenyl)furan-2-yl]-1-(1H-1,2,4-triazol-5-yl)propane-1,2-dione.

Molecular Properties

Compound Name3-[5-(4-fluorophenyl)furan-2-yl]-1-(1H-1,2,4-triazol-5-yl)propane-1,2-dione
PubChem CID69139303
Molecular FormulaC15H10FN3O3
Molecular Weight299.26 g/mol
Exact Mass299.07
IUPAC Name3-[5-(4-fluorophenyl)furan-2-yl]-1-(1H-1,2,4-triazol-5-yl)propane-1,2-dione
SMILESO=C(Cc1ccc(-c2ccc(F)cc2)o1)C(=O)c1ncn[nH]1
InChIInChI=1S/C15H10FN3O3/c16-10-3-1-9(2-4-10)13-6-5-11(22-13)7-12(20)14(21)15-17-8-18-19-15/h1-6,8H,7H2,(H,17,18,19)
InChIKeyQJWAMIAAIDJJKS-UHFFFAOYSA-N
XLogP2.20
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 3-[5-(4-fluorophenyl)furan-2-yl]-1-(1H-1,2,4-triazol-5-yl)propane-1,2-dione 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 3-[5-(4-fluorophenyl)furan-2-yl]-1-(1H-1,2,4-triazol-5-yl)propane-1,2-dione?
The IUPAC name of 3-[5-(4-fluorophenyl)furan-2-yl]-1-(1H-1,2,4-triazol-5-yl)propane-1,2-dione (CID 69139303) is 3-[5-(4-fluorophenyl)furan-2-yl]-1-(1H-1,2,4-triazol-5-yl)propane-1,2-dione.
What is the SMILES notation for 3-[5-(4-fluorophenyl)furan-2-yl]-1-(1H-1,2,4-triazol-5-yl)propane-1,2-dione?
The canonical SMILES for 3-[5-(4-fluorophenyl)furan-2-yl]-1-(1H-1,2,4-triazol-5-yl)propane-1,2-dione is O=C(Cc1ccc(-c2ccc(F)cc2)o1)C(=O)c1ncn[nH]1.
What is the InChIKey of 3-[5-(4-fluorophenyl)furan-2-yl]-1-(1H-1,2,4-triazol-5-yl)propane-1,2-dione?
The InChIKey is QJWAMIAAIDJJKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FN3O3/c16-10-3-1-9(2-4-10)13-6-5-11(22-13)7-12(20)14(21)15-17-8-18-19-15/h1-6,8H,7H2,(H,17,18,19).
What are the key properties of 3-[5-(4-fluorophenyl)furan-2-yl]-1-(1H-1,2,4-triazol-5-yl)propane-1,2-dione?
3-[5-(4-fluorophenyl)furan-2-yl]-1-(1H-1,2,4-triazol-5-yl)propane-1,2-dione has a molecular weight of 299.26 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-fluorophenyl)furan-2-yl]-1-(1H-1,2,4-triazol-5-yl)propane-1,2-dione is sourced from PubChem (CID 69139303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).