2-phenyl-4-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine

C18H13N5 — CID 46882390

IUPAC2-phenyl-4-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine
SMILESc1ccc(-c2cc(-c3n[nH]c(-c4ccncc4)n3)ccn2)cc1
InChIInChI=1S/C18H13N5/c1-2-4-13(5-3-1)16-12-15(8-11-20-16)18-21-17(22-23-18)14-6-9-19-10-7-14/h1-12H,(H,21,22,23)
InChIKeyNWZOWHIYBPGETB-UHFFFAOYSA-N
MW299.34 g/mol
LogP3.60
Rot. Bonds3

About 2-phenyl-4-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine

2-phenyl-4-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine (PubChem CID 46882390) has the molecular formula C18H13N5 and a molecular weight of 299.34 g/mol. Its IUPAC name is 2-phenyl-4-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine.

Molecular Properties

Compound Name2-phenyl-4-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine
PubChem CID46882390
Molecular FormulaC18H13N5
Molecular Weight299.34 g/mol
Exact Mass299.12
IUPAC Name2-phenyl-4-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine
SMILESc1ccc(-c2cc(-c3n[nH]c(-c4ccncc4)n3)ccn2)cc1
InChIInChI=1S/C18H13N5/c1-2-4-13(5-3-1)16-12-15(8-11-20-16)18-21-17(22-23-18)14-6-9-19-10-7-14/h1-12H,(H,21,22,23)
InChIKeyNWZOWHIYBPGETB-UHFFFAOYSA-N
XLogP3.60
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine?
The IUPAC name of 2-phenyl-4-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine (CID 46882390) is 2-phenyl-4-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine.
What is the SMILES notation for 2-phenyl-4-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine?
The canonical SMILES for 2-phenyl-4-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine is c1ccc(-c2cc(-c3n[nH]c(-c4ccncc4)n3)ccn2)cc1.
What is the InChIKey of 2-phenyl-4-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine?
The InChIKey is NWZOWHIYBPGETB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5/c1-2-4-13(5-3-1)16-12-15(8-11-20-16)18-21-17(22-23-18)14-6-9-19-10-7-14/h1-12H,(H,21,22,23).
What are the key properties of 2-phenyl-4-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine?
2-phenyl-4-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine has a molecular weight of 299.34 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)pyridine is sourced from PubChem (CID 46882390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).