3-cyclobutyl-4-[2-(2-fluorophenyl)ethyl]-1H-1,2,4-triazol-5-one

C14H16FN3O — CID 50950286

IUPAC3-cyclobutyl-4-[2-(2-fluorophenyl)ethyl]-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(C2CCC2)n1CCc1ccccc1F
InChIInChI=1S/C14H16FN3O/c15-12-7-2-1-4-10(12)8-9-18-13(11-5-3-6-11)16-17-14(18)19/h1-2,4,7,11H,3,5-6,8-9H2,(H,17,19)
InChIKeyUFIGHILMBPVFEY-UHFFFAOYSA-N
MW261.30 g/mol
LogP2.22
Rot. Bonds4

About 3-cyclobutyl-4-[2-(2-fluorophenyl)ethyl]-1H-1,2,4-triazol-5-one

3-cyclobutyl-4-[2-(2-fluorophenyl)ethyl]-1H-1,2,4-triazol-5-one (PubChem CID 50950286) has the molecular formula C14H16FN3O and a molecular weight of 261.30 g/mol. Its IUPAC name is 3-cyclobutyl-4-[2-(2-fluorophenyl)ethyl]-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name3-cyclobutyl-4-[2-(2-fluorophenyl)ethyl]-1H-1,2,4-triazol-5-one
PubChem CID50950286
Molecular FormulaC14H16FN3O
Molecular Weight261.30 g/mol
Exact Mass261.13
IUPAC Name3-cyclobutyl-4-[2-(2-fluorophenyl)ethyl]-1H-1,2,4-triazol-5-one
SMILESO=c1[nH]nc(C2CCC2)n1CCc1ccccc1F
InChIInChI=1S/C14H16FN3O/c15-12-7-2-1-4-10(12)8-9-18-13(11-5-3-6-11)16-17-14(18)19/h1-2,4,7,11H,3,5-6,8-9H2,(H,17,19)
InChIKeyUFIGHILMBPVFEY-UHFFFAOYSA-N
XLogP2.22
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-cyclobutyl-4-[2-(2-fluorophenyl)ethyl]-1H-1,2,4-triazol-5-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 3-cyclobutyl-4-[2-(2-fluorophenyl)ethyl]-1H-1,2,4-triazol-5-one?
The IUPAC name of 3-cyclobutyl-4-[2-(2-fluorophenyl)ethyl]-1H-1,2,4-triazol-5-one (CID 50950286) is 3-cyclobutyl-4-[2-(2-fluorophenyl)ethyl]-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 3-cyclobutyl-4-[2-(2-fluorophenyl)ethyl]-1H-1,2,4-triazol-5-one?
The canonical SMILES for 3-cyclobutyl-4-[2-(2-fluorophenyl)ethyl]-1H-1,2,4-triazol-5-one is O=c1[nH]nc(C2CCC2)n1CCc1ccccc1F.
What is the InChIKey of 3-cyclobutyl-4-[2-(2-fluorophenyl)ethyl]-1H-1,2,4-triazol-5-one?
The InChIKey is UFIGHILMBPVFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O/c15-12-7-2-1-4-10(12)8-9-18-13(11-5-3-6-11)16-17-14(18)19/h1-2,4,7,11H,3,5-6,8-9H2,(H,17,19).
What are the key properties of 3-cyclobutyl-4-[2-(2-fluorophenyl)ethyl]-1H-1,2,4-triazol-5-one?
3-cyclobutyl-4-[2-(2-fluorophenyl)ethyl]-1H-1,2,4-triazol-5-one has a molecular weight of 261.30 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-4-[2-(2-fluorophenyl)ethyl]-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 50950286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).