2-methyl-6-(trisulfanyl)pyridazin-3-one

C5H6N2OS3 — CID 134490983

IUPAC2-methyl-6-(trisulfanyl)pyridazin-3-one
SMILESCn1nc(SSS)ccc1=O
InChIInChI=1S/C5H6N2OS3/c1-7-5(8)3-2-4(6-7)10-11-9/h2-3,9H,1H3
InChIKeyUQMBTVCCDNJFTE-UHFFFAOYSA-N
MW206.32 g/mol
LogP1.37
Rot. Bonds2

About 2-methyl-6-(trisulfanyl)pyridazin-3-one

2-methyl-6-(trisulfanyl)pyridazin-3-one (PubChem CID 134490983) has the molecular formula C5H6N2OS3 and a molecular weight of 206.32 g/mol. Its IUPAC name is 2-methyl-6-(trisulfanyl)pyridazin-3-one.

Molecular Properties

Compound Name2-methyl-6-(trisulfanyl)pyridazin-3-one
PubChem CID134490983
Molecular FormulaC5H6N2OS3
Molecular Weight206.32 g/mol
Exact Mass205.96
IUPAC Name2-methyl-6-(trisulfanyl)pyridazin-3-one
SMILESCn1nc(SSS)ccc1=O
InChIInChI=1S/C5H6N2OS3/c1-7-5(8)3-2-4(6-7)10-11-9/h2-3,9H,1H3
InChIKeyUQMBTVCCDNJFTE-UHFFFAOYSA-N
XLogP1.37
TPSA34.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.32
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

Analyze 2-methyl-6-(trisulfanyl)pyridazin-3-one 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-methyl-6-(trisulfanyl)pyridazin-3-one?
The IUPAC name of 2-methyl-6-(trisulfanyl)pyridazin-3-one (CID 134490983) is 2-methyl-6-(trisulfanyl)pyridazin-3-one.
What is the SMILES notation for 2-methyl-6-(trisulfanyl)pyridazin-3-one?
The canonical SMILES for 2-methyl-6-(trisulfanyl)pyridazin-3-one is Cn1nc(SSS)ccc1=O.
What is the InChIKey of 2-methyl-6-(trisulfanyl)pyridazin-3-one?
The InChIKey is UQMBTVCCDNJFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2OS3/c1-7-5(8)3-2-4(6-7)10-11-9/h2-3,9H,1H3.
What are the key properties of 2-methyl-6-(trisulfanyl)pyridazin-3-one?
2-methyl-6-(trisulfanyl)pyridazin-3-one has a molecular weight of 206.32 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(trisulfanyl)pyridazin-3-one is sourced from PubChem (CID 134490983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).