3-amino-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide

C7H12N4O3S — CID 116786586

IUPAC3-amino-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide
SMILESNCCCS(=O)(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C7H12N4O3S/c8-4-1-5-15(13,14)11-6-2-3-7(12)10-9-6/h2-3H,1,4-5,8H2,(H,9,11)(H,10,12)
InChIKeyWOXJKERXGBDGLL-UHFFFAOYSA-N
MW232.26 g/mol
LogP-1.14
Rot. Bonds5

About 3-amino-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide

3-amino-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide (PubChem CID 116786586) has the molecular formula C7H12N4O3S and a molecular weight of 232.26 g/mol. Its IUPAC name is 3-amino-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-amino-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide
PubChem CID116786586
Molecular FormulaC7H12N4O3S
Molecular Weight232.26 g/mol
Exact Mass232.06
IUPAC Name3-amino-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide
SMILESNCCCS(=O)(=O)Nc1ccc(=O)[nH]n1
InChIInChI=1S/C7H12N4O3S/c8-4-1-5-15(13,14)11-6-2-3-7(12)10-9-6/h2-3H,1,4-5,8H2,(H,9,11)(H,10,12)
InChIKeyWOXJKERXGBDGLL-UHFFFAOYSA-N
XLogP-1.14
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.26
LogP ≤ 5-1.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-amino-N-(6-oxo-1H-pyridazin-3-yl)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-amino-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide?
The IUPAC name of 3-amino-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide (CID 116786586) is 3-amino-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide.
What is the SMILES notation for 3-amino-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide?
The canonical SMILES for 3-amino-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide is NCCCS(=O)(=O)Nc1ccc(=O)[nH]n1.
What is the InChIKey of 3-amino-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide?
The InChIKey is WOXJKERXGBDGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O3S/c8-4-1-5-15(13,14)11-6-2-3-7(12)10-9-6/h2-3H,1,4-5,8H2,(H,9,11)(H,10,12).
What are the key properties of 3-amino-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide?
3-amino-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide has a molecular weight of 232.26 g/mol, XLogP of -1.14, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(6-oxo-1H-pyridazin-3-yl)propane-1-sulfonamide is sourced from PubChem (CID 116786586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).