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

C6H11N5O4S — CID 61065619

IUPAC3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]propane-1-sulfonamide
SMILESNS(=O)(=O)CCCNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H11N5O4S/c7-16(14,15)3-1-2-8-4-5(12)9-6(13)11-10-4/h1-3H2,(H,8,10)(H2,7,14,15)(H2,9,11,12,13)
InChIKeyLHRNDSXLVJNGDV-UHFFFAOYSA-N
MW249.25 g/mol
LogP-2.45
Rot. Bonds5

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

3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]propane-1-sulfonamide (PubChem CID 61065619) has the molecular formula C6H11N5O4S and a molecular weight of 249.25 g/mol. Its IUPAC name is 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]propane-1-sulfonamide.

Molecular Properties

Compound Name3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]propane-1-sulfonamide
PubChem CID61065619
Molecular FormulaC6H11N5O4S
Molecular Weight249.25 g/mol
Exact Mass249.05
IUPAC Name3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]propane-1-sulfonamide
SMILESNS(=O)(=O)CCCNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H11N5O4S/c7-16(14,15)3-1-2-8-4-5(12)9-6(13)11-10-4/h1-3H2,(H,8,10)(H2,7,14,15)(H2,9,11,12,13)
InChIKeyLHRNDSXLVJNGDV-UHFFFAOYSA-N
XLogP-2.45
TPSA150.80 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.25
LogP ≤ 5-2.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]propane-1-sulfonamide 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 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]propane-1-sulfonamide?
The IUPAC name of 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]propane-1-sulfonamide (CID 61065619) is 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]propane-1-sulfonamide.
What is the SMILES notation for 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]propane-1-sulfonamide?
The canonical SMILES for 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]propane-1-sulfonamide is NS(=O)(=O)CCCNc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]propane-1-sulfonamide?
The InChIKey is LHRNDSXLVJNGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O4S/c7-16(14,15)3-1-2-8-4-5(12)9-6(13)11-10-4/h1-3H2,(H,8,10)(H2,7,14,15)(H2,9,11,12,13).
What are the key properties of 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]propane-1-sulfonamide?
3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]propane-1-sulfonamide has a molecular weight of 249.25 g/mol, XLogP of -2.45, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]propane-1-sulfonamide is sourced from PubChem (CID 61065619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).