4-[5-[2-(3-fluorophenyl)ethyl]-1-methyl-1,2,4-triazol-3-yl]pyridine

C16H15FN4 — CID 72875517

IUPAC4-[5-[2-(3-fluorophenyl)ethyl]-1-methyl-1,2,4-triazol-3-yl]pyridine
SMILESCn1nc(-c2ccncc2)nc1CCc1cccc(F)c1
InChIInChI=1S/C16H15FN4/c1-21-15(6-5-12-3-2-4-14(17)11-12)19-16(20-21)13-7-9-18-10-8-13/h2-4,7-11H,5-6H2,1H3
InChIKeyICCUMELXOWPBQG-UHFFFAOYSA-N
MW282.32 g/mol
LogP2.80
Rot. Bonds4

About 4-[5-[2-(3-fluorophenyl)ethyl]-1-methyl-1,2,4-triazol-3-yl]pyridine

4-[5-[2-(3-fluorophenyl)ethyl]-1-methyl-1,2,4-triazol-3-yl]pyridine (PubChem CID 72875517) has the molecular formula C16H15FN4 and a molecular weight of 282.32 g/mol. Its IUPAC name is 4-[5-[2-(3-fluorophenyl)ethyl]-1-methyl-1,2,4-triazol-3-yl]pyridine.

Molecular Properties

Compound Name4-[5-[2-(3-fluorophenyl)ethyl]-1-methyl-1,2,4-triazol-3-yl]pyridine
PubChem CID72875517
Molecular FormulaC16H15FN4
Molecular Weight282.32 g/mol
Exact Mass282.13
IUPAC Name4-[5-[2-(3-fluorophenyl)ethyl]-1-methyl-1,2,4-triazol-3-yl]pyridine
SMILESCn1nc(-c2ccncc2)nc1CCc1cccc(F)c1
InChIInChI=1S/C16H15FN4/c1-21-15(6-5-12-3-2-4-14(17)11-12)19-16(20-21)13-7-9-18-10-8-13/h2-4,7-11H,5-6H2,1H3
InChIKeyICCUMELXOWPBQG-UHFFFAOYSA-N
XLogP2.80
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[5-[2-(3-fluorophenyl)ethyl]-1-methyl-1,2,4-triazol-3-yl]pyridine 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-[5-[2-(3-fluorophenyl)ethyl]-1-methyl-1,2,4-triazol-3-yl]pyridine?
The IUPAC name of 4-[5-[2-(3-fluorophenyl)ethyl]-1-methyl-1,2,4-triazol-3-yl]pyridine (CID 72875517) is 4-[5-[2-(3-fluorophenyl)ethyl]-1-methyl-1,2,4-triazol-3-yl]pyridine.
What is the SMILES notation for 4-[5-[2-(3-fluorophenyl)ethyl]-1-methyl-1,2,4-triazol-3-yl]pyridine?
The canonical SMILES for 4-[5-[2-(3-fluorophenyl)ethyl]-1-methyl-1,2,4-triazol-3-yl]pyridine is Cn1nc(-c2ccncc2)nc1CCc1cccc(F)c1.
What is the InChIKey of 4-[5-[2-(3-fluorophenyl)ethyl]-1-methyl-1,2,4-triazol-3-yl]pyridine?
The InChIKey is ICCUMELXOWPBQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4/c1-21-15(6-5-12-3-2-4-14(17)11-12)19-16(20-21)13-7-9-18-10-8-13/h2-4,7-11H,5-6H2,1H3.
What are the key properties of 4-[5-[2-(3-fluorophenyl)ethyl]-1-methyl-1,2,4-triazol-3-yl]pyridine?
4-[5-[2-(3-fluorophenyl)ethyl]-1-methyl-1,2,4-triazol-3-yl]pyridine has a molecular weight of 282.32 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-(3-fluorophenyl)ethyl]-1-methyl-1,2,4-triazol-3-yl]pyridine is sourced from PubChem (CID 72875517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).