2-methylsulfonyl-1H-triazine

C4H7N3O2S — CID 67921325

IUPAC2-methylsulfonyl-1H-triazine
SMILESCS(=O)(=O)N1N=CC=CN1
InChIInChI=1S/C4H7N3O2S/c1-10(8,9)7-5-3-2-4-6-7/h2-5H,1H3
InChIKeyZJXHCUVLVOIXLR-UHFFFAOYSA-N
MW161.19 g/mol
LogP-0.73
Rot. Bonds1

About 2-methylsulfonyl-1H-triazine

2-methylsulfonyl-1H-triazine (PubChem CID 67921325) has the molecular formula C4H7N3O2S and a molecular weight of 161.19 g/mol. Its IUPAC name is 2-methylsulfonyl-1H-triazine.

Molecular Properties

Compound Name2-methylsulfonyl-1H-triazine
PubChem CID67921325
Molecular FormulaC4H7N3O2S
Molecular Weight161.19 g/mol
Exact Mass161.03
IUPAC Name2-methylsulfonyl-1H-triazine
SMILESCS(=O)(=O)N1N=CC=CN1
InChIInChI=1S/C4H7N3O2S/c1-10(8,9)7-5-3-2-4-6-7/h2-5H,1H3
InChIKeyZJXHCUVLVOIXLR-UHFFFAOYSA-N
XLogP-0.73
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.19
LogP ≤ 5-0.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methylsulfonyl-1H-triazine?
The IUPAC name of 2-methylsulfonyl-1H-triazine (CID 67921325) is 2-methylsulfonyl-1H-triazine.
What is the SMILES notation for 2-methylsulfonyl-1H-triazine?
The canonical SMILES for 2-methylsulfonyl-1H-triazine is CS(=O)(=O)N1N=CC=CN1.
What is the InChIKey of 2-methylsulfonyl-1H-triazine?
The InChIKey is ZJXHCUVLVOIXLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O2S/c1-10(8,9)7-5-3-2-4-6-7/h2-5H,1H3.
What are the key properties of 2-methylsulfonyl-1H-triazine?
2-methylsulfonyl-1H-triazine has a molecular weight of 161.19 g/mol, XLogP of -0.73, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfonyl-1H-triazine is sourced from PubChem (CID 67921325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).