1-pyridin-2-ylsulfonyl-2H-1,3,5-triazine

C8H8N4O2S — CID 173425582

IUPAC1-pyridin-2-ylsulfonyl-2H-1,3,5-triazine
SMILESO=S(=O)(c1ccccn1)N1C=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
InChIKeySEUARJJFSXYSKH-UHFFFAOYSA-N
MW224.25 g/mol
LogP0.10
Rot. Bonds2

About 1-pyridin-2-ylsulfonyl-2H-1,3,5-triazine

1-pyridin-2-ylsulfonyl-2H-1,3,5-triazine (PubChem CID 173425582) has the molecular formula C8H8N4O2S and a molecular weight of 224.25 g/mol. Its IUPAC name is 1-pyridin-2-ylsulfonyl-2H-1,3,5-triazine.

Molecular Properties

Compound Name1-pyridin-2-ylsulfonyl-2H-1,3,5-triazine
PubChem CID173425582
Molecular FormulaC8H8N4O2S
Molecular Weight224.25 g/mol
Exact Mass224.04
IUPAC Name1-pyridin-2-ylsulfonyl-2H-1,3,5-triazine
SMILESO=S(=O)(c1ccccn1)N1C=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
InChIKeySEUARJJFSXYSKH-UHFFFAOYSA-N
XLogP0.10
TPSA74.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.25
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-pyridin-2-ylsulfonyl-2H-1,3,5-triazine?
The IUPAC name of 1-pyridin-2-ylsulfonyl-2H-1,3,5-triazine (CID 173425582) is 1-pyridin-2-ylsulfonyl-2H-1,3,5-triazine.
What is the SMILES notation for 1-pyridin-2-ylsulfonyl-2H-1,3,5-triazine?
The canonical SMILES for 1-pyridin-2-ylsulfonyl-2H-1,3,5-triazine is O=S(=O)(c1ccccn1)N1C=NC=NC1.
What is the InChIKey of 1-pyridin-2-ylsulfonyl-2H-1,3,5-triazine?
The InChIKey is SEUARJJFSXYSKH-UHFFFAOYSA-N. 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.
What are the key properties of 1-pyridin-2-ylsulfonyl-2H-1,3,5-triazine?
1-pyridin-2-ylsulfonyl-2H-1,3,5-triazine has a molecular weight of 224.25 g/mol, XLogP of 0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-2-ylsulfonyl-2H-1,3,5-triazine is sourced from PubChem (CID 173425582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).