3-pyridin-2-yl-5,6-disulfonyl-1,2,4-triazine

C8H4N4O4S2 — CID 18374307

IUPAC3-pyridin-2-yl-5,6-disulfonyl-1,2,4-triazine
SMILESO=S(=O)=C1N=NC(c2ccccn2)=NC1=S(=O)=O
InChIInChI=1S/C8H4N4O4S2/c13-17(14)7-8(18(15)16)12-11-6(10-7)5-3-1-2-4-9-5/h1-4H
InChIKeyPUNHSYICYPCIKD-UHFFFAOYSA-N
MW284.28 g/mol
LogP-0.69
Rot. Bonds1

About 3-pyridin-2-yl-5,6-disulfonyl-1,2,4-triazine

3-pyridin-2-yl-5,6-disulfonyl-1,2,4-triazine (PubChem CID 18374307) has the molecular formula C8H4N4O4S2 and a molecular weight of 284.28 g/mol. Its IUPAC name is 3-pyridin-2-yl-5,6-disulfonyl-1,2,4-triazine.

Molecular Properties

Compound Name3-pyridin-2-yl-5,6-disulfonyl-1,2,4-triazine
PubChem CID18374307
Molecular FormulaC8H4N4O4S2
Molecular Weight284.28 g/mol
Exact Mass283.97
IUPAC Name3-pyridin-2-yl-5,6-disulfonyl-1,2,4-triazine
SMILESO=S(=O)=C1N=NC(c2ccccn2)=NC1=S(=O)=O
InChIInChI=1S/C8H4N4O4S2/c13-17(14)7-8(18(15)16)12-11-6(10-7)5-3-1-2-4-9-5/h1-4H
InChIKeyPUNHSYICYPCIKD-UHFFFAOYSA-N
XLogP-0.69
TPSA118.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 5-0.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(2-pyridin-2-ylpyridine);ruthenium
CID 87118114
nickel;tris(2-pyridin-2-ylpyridine)
CID 76737267
tris(2-pyridin-2-ylpyridine);ruthenium
CID 6100643
2-pyridin-2-ylpyridine;hydroiodide
CID 172833113
2-pyridin-2-ylpyridine;ruthenium(2+)
CID 140596360
2-pyridin-2-ylpyridine;rhenium;tetrachloride
CID 52939847
2-pyridin-2-ylpyridine;dihydroiodide
CID 173445353
disodium;hydride;2-pyridin-2-ylpyridine
CID 174959125
pyrrolo[3,2-b]azepine
CID 66934182
iridium;2-pyridin-2-ylpyridine;ruthenium
CID 174707743
2-pyridin-2-yl-6-pyridin-2-ylsulfinylpyridine
CID 102419673
palladium(2+);bis(2-pyridin-2-ylpyridine);diperchlorate
CID 19810782

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-5,6-disulfonyl-1,2,4-triazine?
The IUPAC name of 3-pyridin-2-yl-5,6-disulfonyl-1,2,4-triazine (CID 18374307) is 3-pyridin-2-yl-5,6-disulfonyl-1,2,4-triazine.
What is the SMILES notation for 3-pyridin-2-yl-5,6-disulfonyl-1,2,4-triazine?
The canonical SMILES for 3-pyridin-2-yl-5,6-disulfonyl-1,2,4-triazine is O=S(=O)=C1N=NC(c2ccccn2)=NC1=S(=O)=O.
What is the InChIKey of 3-pyridin-2-yl-5,6-disulfonyl-1,2,4-triazine?
The InChIKey is PUNHSYICYPCIKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N4O4S2/c13-17(14)7-8(18(15)16)12-11-6(10-7)5-3-1-2-4-9-5/h1-4H.
What are the key properties of 3-pyridin-2-yl-5,6-disulfonyl-1,2,4-triazine?
3-pyridin-2-yl-5,6-disulfonyl-1,2,4-triazine has a molecular weight of 284.28 g/mol, XLogP of -0.69, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-5,6-disulfonyl-1,2,4-triazine is sourced from PubChem (CID 18374307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).