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

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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).