2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethanesulfonamide

C5H9N5O4S — CID 43646871

IUPAC2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethanesulfonamide
SMILESNS(=O)(=O)CCNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H9N5O4S/c6-15(13,14)2-1-7-3-4(11)8-5(12)10-9-3/h1-2H2,(H,7,9)(H2,6,13,14)(H2,8,10,11,12)
InChIKeyJVRFGUFIVNAJFF-UHFFFAOYSA-N
MW235.22 g/mol
LogP-2.84
Rot. Bonds4

About 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethanesulfonamide

2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethanesulfonamide (PubChem CID 43646871) has the molecular formula C5H9N5O4S and a molecular weight of 235.22 g/mol. Its IUPAC name is 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethanesulfonamide.

Molecular Properties

Compound Name2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethanesulfonamide
PubChem CID43646871
Molecular FormulaC5H9N5O4S
Molecular Weight235.22 g/mol
Exact Mass235.04
IUPAC Name2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethanesulfonamide
SMILESNS(=O)(=O)CCNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C5H9N5O4S/c6-15(13,14)2-1-7-3-4(11)8-5(12)10-9-3/h1-2H2,(H,7,9)(H2,6,13,14)(H2,8,10,11,12)
InChIKeyJVRFGUFIVNAJFF-UHFFFAOYSA-N
XLogP-2.84
TPSA150.80 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 5-2.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethanesulfonamide?
The IUPAC name of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethanesulfonamide (CID 43646871) is 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethanesulfonamide.
What is the SMILES notation for 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethanesulfonamide?
The canonical SMILES for 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethanesulfonamide is NS(=O)(=O)CCNc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethanesulfonamide?
The InChIKey is JVRFGUFIVNAJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5O4S/c6-15(13,14)2-1-7-3-4(11)8-5(12)10-9-3/h1-2H2,(H,7,9)(H2,6,13,14)(H2,8,10,11,12).
What are the key properties of 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethanesulfonamide?
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethanesulfonamide has a molecular weight of 235.22 g/mol, XLogP of -2.84, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethanesulfonamide is sourced from PubChem (CID 43646871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).