3-(difluoromethylsulfanyl)-6-(4-pentylphenyl)pyridazine

C16H18F2N2S — CID 6410868

IUPAC3-(difluoromethylsulfanyl)-6-(4-pentylphenyl)pyridazine
SMILESCCCCCc1ccc(-c2ccc(SC(F)F)nn2)cc1
InChIInChI=1S/C16H18F2N2S/c1-2-3-4-5-12-6-8-13(9-7-12)14-10-11-15(20-19-14)21-16(17)18/h6-11,16H,2-5H2,1H3
InChIKeyHTCDXWCJWKLALM-UHFFFAOYSA-N
MW308.40 g/mol
LogP5.19
Rot. Bonds7

About 3-(difluoromethylsulfanyl)-6-(4-pentylphenyl)pyridazine

3-(difluoromethylsulfanyl)-6-(4-pentylphenyl)pyridazine (PubChem CID 6410868) has the molecular formula C16H18F2N2S and a molecular weight of 308.40 g/mol. Its IUPAC name is 3-(difluoromethylsulfanyl)-6-(4-pentylphenyl)pyridazine.

Molecular Properties

Compound Name3-(difluoromethylsulfanyl)-6-(4-pentylphenyl)pyridazine
PubChem CID6410868
Molecular FormulaC16H18F2N2S
Molecular Weight308.40 g/mol
Exact Mass308.12
IUPAC Name3-(difluoromethylsulfanyl)-6-(4-pentylphenyl)pyridazine
SMILESCCCCCc1ccc(-c2ccc(SC(F)F)nn2)cc1
InChIInChI=1S/C16H18F2N2S/c1-2-3-4-5-12-6-8-13(9-7-12)14-10-11-15(20-19-14)21-16(17)18/h6-11,16H,2-5H2,1H3
InChIKeyHTCDXWCJWKLALM-UHFFFAOYSA-N
XLogP5.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.40
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(difluoromethylsulfanyl)-6-(4-pentylphenyl)pyridazine 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-(difluoromethylsulfanyl)-6-(4-pentylphenyl)pyridazine?
The IUPAC name of 3-(difluoromethylsulfanyl)-6-(4-pentylphenyl)pyridazine (CID 6410868) is 3-(difluoromethylsulfanyl)-6-(4-pentylphenyl)pyridazine.
What is the SMILES notation for 3-(difluoromethylsulfanyl)-6-(4-pentylphenyl)pyridazine?
The canonical SMILES for 3-(difluoromethylsulfanyl)-6-(4-pentylphenyl)pyridazine is CCCCCc1ccc(-c2ccc(SC(F)F)nn2)cc1.
What is the InChIKey of 3-(difluoromethylsulfanyl)-6-(4-pentylphenyl)pyridazine?
The InChIKey is HTCDXWCJWKLALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F2N2S/c1-2-3-4-5-12-6-8-13(9-7-12)14-10-11-15(20-19-14)21-16(17)18/h6-11,16H,2-5H2,1H3.
What are the key properties of 3-(difluoromethylsulfanyl)-6-(4-pentylphenyl)pyridazine?
3-(difluoromethylsulfanyl)-6-(4-pentylphenyl)pyridazine has a molecular weight of 308.40 g/mol, XLogP of 5.19, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylsulfanyl)-6-(4-pentylphenyl)pyridazine is sourced from PubChem (CID 6410868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).