2-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-4-(3-fluorophenyl)pyridine

C21H17FN4 — CID 134807399

IUPAC2-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-4-(3-fluorophenyl)pyridine
SMILESCc1nnc(-c2cc(-c3cccc(F)c3)ccn2)n1Cc1ccccc1
InChIInChI=1S/C21H17FN4/c1-15-24-25-21(26(15)14-16-6-3-2-4-7-16)20-13-18(10-11-23-20)17-8-5-9-19(22)12-17/h2-13H,14H2,1H3
InChIKeyJMLDDTQKWOSVHH-UHFFFAOYSA-N
MW344.39 g/mol
LogP4.50
Rot. Bonds4

About 2-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-4-(3-fluorophenyl)pyridine

2-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-4-(3-fluorophenyl)pyridine (PubChem CID 134807399) has the molecular formula C21H17FN4 and a molecular weight of 344.39 g/mol. Its IUPAC name is 2-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-4-(3-fluorophenyl)pyridine.

Molecular Properties

Compound Name2-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-4-(3-fluorophenyl)pyridine
PubChem CID134807399
Molecular FormulaC21H17FN4
Molecular Weight344.39 g/mol
Exact Mass344.14
IUPAC Name2-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-4-(3-fluorophenyl)pyridine
SMILESCc1nnc(-c2cc(-c3cccc(F)c3)ccn2)n1Cc1ccccc1
InChIInChI=1S/C21H17FN4/c1-15-24-25-21(26(15)14-16-6-3-2-4-7-16)20-13-18(10-11-23-20)17-8-5-9-19(22)12-17/h2-13H,14H2,1H3
InChIKeyJMLDDTQKWOSVHH-UHFFFAOYSA-N
XLogP4.50
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-4-(3-fluorophenyl)pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Forasartan
CID 132706
3-(2-Pyridyl)-5,6-diphenyl-1,2,4-triazine
CID 70588
2,6-Diphenylimidazo[1,2-a]pyridine
CID 58880626
3-(6-fluoropyridin-3-yl)-2-(4-(4-methyl-4H-1,2,4-triazol-3-yl)piperidin-1-yl)pyridine
CID 91618245
4-(3-cyclohexyl-5-(4-fluoro-phenyl)-3H-imidazol-4-yl)pyrimidin-2-ylamine
CID 11681588
6-[(2r)-2-(3-Fluorophenyl)pyrrolidin-1-Yl]-3-(Pyridin-2-Yl)imidazo[1,2-B]pyridazine
CID 122179546
SB-216995
CID 5171
5-(3-(Difluoromethyl)-4-fluorophenyl)-3-((2-methyl-1H-imidazol-1-yl)methyl)pyridazine
CID 22240172
Evt-101
CID 72941990
4-(4-Ethyl-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-YL)pyridine
CID 931757
3-((4-Fluorobenzyl)thio)-5-(2-pyridinyl)-4H-1,2,4-triazol-4-ylamine
CID 936370
3,7-Diphenylimidazo[1,2-a]pyridine
CID 5329339

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-4-(3-fluorophenyl)pyridine?
The IUPAC name of 2-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-4-(3-fluorophenyl)pyridine (CID 134807399) is 2-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-4-(3-fluorophenyl)pyridine.
What is the SMILES notation for 2-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-4-(3-fluorophenyl)pyridine?
The canonical SMILES for 2-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-4-(3-fluorophenyl)pyridine is Cc1nnc(-c2cc(-c3cccc(F)c3)ccn2)n1Cc1ccccc1.
What is the InChIKey of 2-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-4-(3-fluorophenyl)pyridine?
The InChIKey is JMLDDTQKWOSVHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4/c1-15-24-25-21(26(15)14-16-6-3-2-4-7-16)20-13-18(10-11-23-20)17-8-5-9-19(22)12-17/h2-13H,14H2,1H3.
What are the key properties of 2-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-4-(3-fluorophenyl)pyridine?
2-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-4-(3-fluorophenyl)pyridine has a molecular weight of 344.39 g/mol, XLogP of 4.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-benzyl-5-methyl-1,2,4-triazol-3-yl)-4-(3-fluorophenyl)pyridine is sourced from PubChem (CID 134807399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).