5-phenyl-6-(2-pyridin-2-ylphenyl)-1,2,4-triazine-3-sulfonic acid

C20H14N4O3S — CID 161147444

IUPAC5-phenyl-6-(2-pyridin-2-ylphenyl)-1,2,4-triazine-3-sulfonic acid
SMILESO=S(=O)(O)c1nnc(-c2ccccc2-c2ccccn2)c(-c2ccccc2)n1
InChIInChI=1S/C20H14N4O3S/c25-28(26,27)20-22-18(14-8-2-1-3-9-14)19(23-24-20)16-11-5-4-10-15(16)17-12-6-7-13-21-17/h1-13H,(H,25,26,27)
InChIKeyIXVFKLUQEUZOOG-UHFFFAOYSA-N
MW390.42 g/mol
LogP3.51
Rot. Bonds4

About 5-phenyl-6-(2-pyridin-2-ylphenyl)-1,2,4-triazine-3-sulfonic acid

5-phenyl-6-(2-pyridin-2-ylphenyl)-1,2,4-triazine-3-sulfonic acid (PubChem CID 161147444) has the molecular formula C20H14N4O3S and a molecular weight of 390.42 g/mol. Its IUPAC name is 5-phenyl-6-(2-pyridin-2-ylphenyl)-1,2,4-triazine-3-sulfonic acid.

Molecular Properties

Compound Name5-phenyl-6-(2-pyridin-2-ylphenyl)-1,2,4-triazine-3-sulfonic acid
PubChem CID161147444
Molecular FormulaC20H14N4O3S
Molecular Weight390.42 g/mol
Exact Mass390.08
IUPAC Name5-phenyl-6-(2-pyridin-2-ylphenyl)-1,2,4-triazine-3-sulfonic acid
SMILESO=S(=O)(O)c1nnc(-c2ccccc2-c2ccccn2)c(-c2ccccc2)n1
InChIInChI=1S/C20H14N4O3S/c25-28(26,27)20-22-18(14-8-2-1-3-9-14)19(23-24-20)16-11-5-4-10-15(16)17-12-6-7-13-21-17/h1-13H,(H,25,26,27)
InChIKeyIXVFKLUQEUZOOG-UHFFFAOYSA-N
XLogP3.51
TPSA105.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.42
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

4-phenylpyrimidine-2-sulfonic acid
CID 140969909
1,1'-biphenyl;2,3-dipyridin-2-ylpyridine
CID 67006222
zinc;2,3-dipyridin-2-ylpyridine;sulfate
CID 175077808
2-phenylpyridine;propan-2-one
CID 174845023
6-pyridin-2-ylpyridine-2-sulfonic acid
CID 15219955
6-pyridin-2-ylpyridine-2-carboxamide
CID 12055775
5-chloro-6-phenyl-3-pyridin-2-yl-1,2,4-triazine
CID 14642993
(E)-but-2-enedioic acid;2-pyridin-2-ylpyridine
CID 139063802
2-[3-(2-phenylphenyl)phenyl]pyridine
CID 59403973
2-(4-phenyl-2-pyridin-2-ylphenyl)pyridine
CID 142417656
5,6-bis(2-phenylphenyl)-3-pyrimidin-2-yl-1,2,4-triazine
CID 132536986
2-[2-(3-pyridin-2-yl-2-pyridinyl)-3-pyridinyl]acetic acid
CID 155675288

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-6-(2-pyridin-2-ylphenyl)-1,2,4-triazine-3-sulfonic acid?
The IUPAC name of 5-phenyl-6-(2-pyridin-2-ylphenyl)-1,2,4-triazine-3-sulfonic acid (CID 161147444) is 5-phenyl-6-(2-pyridin-2-ylphenyl)-1,2,4-triazine-3-sulfonic acid.
What is the SMILES notation for 5-phenyl-6-(2-pyridin-2-ylphenyl)-1,2,4-triazine-3-sulfonic acid?
The canonical SMILES for 5-phenyl-6-(2-pyridin-2-ylphenyl)-1,2,4-triazine-3-sulfonic acid is O=S(=O)(O)c1nnc(-c2ccccc2-c2ccccn2)c(-c2ccccc2)n1.
What is the InChIKey of 5-phenyl-6-(2-pyridin-2-ylphenyl)-1,2,4-triazine-3-sulfonic acid?
The InChIKey is IXVFKLUQEUZOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O3S/c25-28(26,27)20-22-18(14-8-2-1-3-9-14)19(23-24-20)16-11-5-4-10-15(16)17-12-6-7-13-21-17/h1-13H,(H,25,26,27).
What are the key properties of 5-phenyl-6-(2-pyridin-2-ylphenyl)-1,2,4-triazine-3-sulfonic acid?
5-phenyl-6-(2-pyridin-2-ylphenyl)-1,2,4-triazine-3-sulfonic acid has a molecular weight of 390.42 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-6-(2-pyridin-2-ylphenyl)-1,2,4-triazine-3-sulfonic acid is sourced from PubChem (CID 161147444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).