1,5,6-trimethyl-4-(4-methylphenyl)sulfonylpyrazolo[5,4-c]pyridazin-6-ium

C15H17N4O2S+ — CID 154673917

IUPAC1,5,6-trimethyl-4-(4-methylphenyl)sulfonylpyrazolo[5,4-c]pyridazin-6-ium
SMILESCc1ccc(S(=O)(=O)c2c(C)[n+](C)nc3c2cnn3C)cc1
InChIInChI=1S/C15H17N4O2S/c1-10-5-7-12(8-6-10)22(20,21)14-11(2)18(3)17-15-13(14)9-16-19(15)4/h5-9H,1-4H3/q+1
InChIKeyNFZUSPYOZFTWMZ-UHFFFAOYSA-N
MW317.39 g/mol
LogP1.24
Rot. Bonds2

About 1,5,6-trimethyl-4-(4-methylphenyl)sulfonylpyrazolo[5,4-c]pyridazin-6-ium

1,5,6-trimethyl-4-(4-methylphenyl)sulfonylpyrazolo[5,4-c]pyridazin-6-ium (PubChem CID 154673917) has the molecular formula C15H17N4O2S+ and a molecular weight of 317.39 g/mol. Its IUPAC name is 1,5,6-trimethyl-4-(4-methylphenyl)sulfonylpyrazolo[5,4-c]pyridazin-6-ium.

Molecular Properties

Compound Name1,5,6-trimethyl-4-(4-methylphenyl)sulfonylpyrazolo[5,4-c]pyridazin-6-ium
PubChem CID154673917
Molecular FormulaC15H17N4O2S+
Molecular Weight317.39 g/mol
Exact Mass317.11
IUPAC Name1,5,6-trimethyl-4-(4-methylphenyl)sulfonylpyrazolo[5,4-c]pyridazin-6-ium
SMILESCc1ccc(S(=O)(=O)c2c(C)[n+](C)nc3c2cnn3C)cc1
InChIInChI=1S/C15H17N4O2S/c1-10-5-7-12(8-6-10)22(20,21)14-11(2)18(3)17-15-13(14)9-16-19(15)4/h5-9H,1-4H3/q+1
InChIKeyNFZUSPYOZFTWMZ-UHFFFAOYSA-N
XLogP1.24
TPSA68.73 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 51.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 1,5,6-trimethyl-4-(4-methylphenyl)sulfonylpyrazolo[5,4-c]pyridazin-6-ium 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 1,5,6-trimethyl-4-(4-methylphenyl)sulfonylpyrazolo[5,4-c]pyridazin-6-ium?
The IUPAC name of 1,5,6-trimethyl-4-(4-methylphenyl)sulfonylpyrazolo[5,4-c]pyridazin-6-ium (CID 154673917) is 1,5,6-trimethyl-4-(4-methylphenyl)sulfonylpyrazolo[5,4-c]pyridazin-6-ium.
What is the SMILES notation for 1,5,6-trimethyl-4-(4-methylphenyl)sulfonylpyrazolo[5,4-c]pyridazin-6-ium?
The canonical SMILES for 1,5,6-trimethyl-4-(4-methylphenyl)sulfonylpyrazolo[5,4-c]pyridazin-6-ium is Cc1ccc(S(=O)(=O)c2c(C)[n+](C)nc3c2cnn3C)cc1.
What is the InChIKey of 1,5,6-trimethyl-4-(4-methylphenyl)sulfonylpyrazolo[5,4-c]pyridazin-6-ium?
The InChIKey is NFZUSPYOZFTWMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N4O2S/c1-10-5-7-12(8-6-10)22(20,21)14-11(2)18(3)17-15-13(14)9-16-19(15)4/h5-9H,1-4H3/q+1.
What are the key properties of 1,5,6-trimethyl-4-(4-methylphenyl)sulfonylpyrazolo[5,4-c]pyridazin-6-ium?
1,5,6-trimethyl-4-(4-methylphenyl)sulfonylpyrazolo[5,4-c]pyridazin-6-ium has a molecular weight of 317.39 g/mol, XLogP of 1.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,6-trimethyl-4-(4-methylphenyl)sulfonylpyrazolo[5,4-c]pyridazin-6-ium is sourced from PubChem (CID 154673917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).