1-pyridin-2-ylsulfonyl-1,2-dihydro-1,3,5-triazin-1-ium

C8H9N4O2S+ — CID 173425581

IUPAC1-pyridin-2-ylsulfonyl-1,2-dihydro-1,3,5-triazin-1-ium
SMILESO=S(=O)(c1ccccn1)[NH+]1C=NC=NC1
InChIInChI=1S/C8H8N4O2S/c13-15(14,8-3-1-2-4-11-8)12-6-9-5-10-7-12/h1-6H,7H2/p+1
InChIKeySEUARJJFSXYSKH-UHFFFAOYSA-O
MW225.25 g/mol
LogP-1.32
Rot. Bonds2

About 1-pyridin-2-ylsulfonyl-1,2-dihydro-1,3,5-triazin-1-ium

1-pyridin-2-ylsulfonyl-1,2-dihydro-1,3,5-triazin-1-ium (PubChem CID 173425581) has the molecular formula C8H9N4O2S+ and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-pyridin-2-ylsulfonyl-1,2-dihydro-1,3,5-triazin-1-ium.

Molecular Properties

Compound Name1-pyridin-2-ylsulfonyl-1,2-dihydro-1,3,5-triazin-1-ium
PubChem CID173425581
Molecular FormulaC8H9N4O2S+
Molecular Weight225.25 g/mol
Exact Mass225.04
IUPAC Name1-pyridin-2-ylsulfonyl-1,2-dihydro-1,3,5-triazin-1-ium
SMILESO=S(=O)(c1ccccn1)[NH+]1C=NC=NC1
InChIInChI=1S/C8H8N4O2S/c13-15(14,8-3-1-2-4-11-8)12-6-9-5-10-7-12/h1-6H,7H2/p+1
InChIKeySEUARJJFSXYSKH-UHFFFAOYSA-O
XLogP-1.32
TPSA76.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 5-1.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-pyridin-2-ylsulfonyl-1,2-dihydro-1,3,5-triazin-1-ium 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

1-pyridin-2-ylsulfonyl-2H-1,3,5-triazine
CID 173425582
cyclobutane;pyridine-2-sulfonamide
CID 175429056
CID 175476137
CID 175476137
2-(chloromethylsulfonyl)pyridine
CID 54090294
barium(2+);bis(pyridine-2-sulfonate)
CID 154925532
2-(pyridin-2-ylsulfonylmethylsulfonyl)pyridine
CID 139827432
2-(tribromomethylsulfonyl)pyridine
CID 159318212
bis(pyridin-2-ylsulfonyl)methanone
CID 129080912
2-[(5-phenylcyclopenten-1-yl)methylsulfonyl]pyridine
CID 86068707
2-cyclohexylsulfonylpyridine
CID 22764697
N-[2-(pyridin-2-ylsulfonylamino)phenyl]pyridine-2-sulfonamide
CID 132544567
2-methylpropane;pyridine-2-sulfonic acid
CID 174713168

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-ylsulfonyl-1,2-dihydro-1,3,5-triazin-1-ium?
The IUPAC name of 1-pyridin-2-ylsulfonyl-1,2-dihydro-1,3,5-triazin-1-ium (CID 173425581) is 1-pyridin-2-ylsulfonyl-1,2-dihydro-1,3,5-triazin-1-ium.
What is the SMILES notation for 1-pyridin-2-ylsulfonyl-1,2-dihydro-1,3,5-triazin-1-ium?
The canonical SMILES for 1-pyridin-2-ylsulfonyl-1,2-dihydro-1,3,5-triazin-1-ium is O=S(=O)(c1ccccn1)[NH+]1C=NC=NC1.
What is the InChIKey of 1-pyridin-2-ylsulfonyl-1,2-dihydro-1,3,5-triazin-1-ium?
The InChIKey is SEUARJJFSXYSKH-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H8N4O2S/c13-15(14,8-3-1-2-4-11-8)12-6-9-5-10-7-12/h1-6H,7H2/p+1.
What are the key properties of 1-pyridin-2-ylsulfonyl-1,2-dihydro-1,3,5-triazin-1-ium?
1-pyridin-2-ylsulfonyl-1,2-dihydro-1,3,5-triazin-1-ium has a molecular weight of 225.25 g/mol, XLogP of -1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-ylsulfonyl-1,2-dihydro-1,3,5-triazin-1-ium is sourced from PubChem (CID 173425581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).