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

C20H15FN4 — CID 22019239

IUPAC3-[4-[4-(2-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]phenyl]pyridine
SMILESCc1nnc(-c2ccc(-c3cccnc3)cc2)n1-c1ccccc1F
InChIInChI=1S/C20H15FN4/c1-14-23-24-20(25(14)19-7-3-2-6-18(19)21)16-10-8-15(9-11-16)17-5-4-12-22-13-17/h2-13H,1H3
InChIKeyIYQZLJJOVXUIJZ-UHFFFAOYSA-N
MW330.37 g/mol
LogP4.44
Rot. Bonds3

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

3-[4-[4-(2-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]phenyl]pyridine (PubChem CID 22019239) has the molecular formula C20H15FN4 and a molecular weight of 330.37 g/mol. Its IUPAC name is 3-[4-[4-(2-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]phenyl]pyridine.

Molecular Properties

Compound Name3-[4-[4-(2-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]phenyl]pyridine
PubChem CID22019239
Molecular FormulaC20H15FN4
Molecular Weight330.37 g/mol
Exact Mass330.13
IUPAC Name3-[4-[4-(2-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]phenyl]pyridine
SMILESCc1nnc(-c2ccc(-c3cccnc3)cc2)n1-c1ccccc1F
InChIInChI=1S/C20H15FN4/c1-14-23-24-20(25(14)19-7-3-2-6-18(19)21)16-10-8-15(9-11-16)17-5-4-12-22-13-17/h2-13H,1H3
InChIKeyIYQZLJJOVXUIJZ-UHFFFAOYSA-N
XLogP4.44
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-[4-[4-(2-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]phenyl]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 3-[4-[4-(2-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]phenyl]pyridine?
The IUPAC name of 3-[4-[4-(2-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]phenyl]pyridine (CID 22019239) is 3-[4-[4-(2-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]phenyl]pyridine.
What is the SMILES notation for 3-[4-[4-(2-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]phenyl]pyridine?
The canonical SMILES for 3-[4-[4-(2-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]phenyl]pyridine is Cc1nnc(-c2ccc(-c3cccnc3)cc2)n1-c1ccccc1F.
What is the InChIKey of 3-[4-[4-(2-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]phenyl]pyridine?
The InChIKey is IYQZLJJOVXUIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN4/c1-14-23-24-20(25(14)19-7-3-2-6-18(19)21)16-10-8-15(9-11-16)17-5-4-12-22-13-17/h2-13H,1H3.
What are the key properties of 3-[4-[4-(2-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]phenyl]pyridine?
3-[4-[4-(2-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]phenyl]pyridine has a molecular weight of 330.37 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-(2-fluorophenyl)-5-methyl-1,2,4-triazol-3-yl]phenyl]pyridine is sourced from PubChem (CID 22019239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).