3-(4-methylphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridazine

C18H23N3S — CID 7672440

IUPAC3-(4-methylphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridazine
SMILESCc1ccc(-c2ccc(SCCN3CCCCC3)nn2)cc1
InChIInChI=1S/C18H23N3S/c1-15-5-7-16(8-6-15)17-9-10-18(20-19-17)22-14-13-21-11-3-2-4-12-21/h5-10H,2-4,11-14H2,1H3
InChIKeySDZFHAWERFDQHO-UHFFFAOYSA-N
MW313.47 g/mol
LogP4.03
Rot. Bonds5

About 3-(4-methylphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridazine

3-(4-methylphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridazine (PubChem CID 7672440) has the molecular formula C18H23N3S and a molecular weight of 313.47 g/mol. Its IUPAC name is 3-(4-methylphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridazine.

Molecular Properties

Compound Name3-(4-methylphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridazine
PubChem CID7672440
Molecular FormulaC18H23N3S
Molecular Weight313.47 g/mol
Exact Mass313.16
IUPAC Name3-(4-methylphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridazine
SMILESCc1ccc(-c2ccc(SCCN3CCCCC3)nn2)cc1
InChIInChI=1S/C18H23N3S/c1-15-5-7-16(8-6-15)17-9-10-18(20-19-17)22-14-13-21-11-3-2-4-12-21/h5-10H,2-4,11-14H2,1H3
InChIKeySDZFHAWERFDQHO-UHFFFAOYSA-N
XLogP4.03
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(4-methylphenyl)-6-(2-piperidin-1-ylethylsulfanyl)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-(4-methylphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridazine?
The IUPAC name of 3-(4-methylphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridazine (CID 7672440) is 3-(4-methylphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridazine.
What is the SMILES notation for 3-(4-methylphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridazine?
The canonical SMILES for 3-(4-methylphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridazine is Cc1ccc(-c2ccc(SCCN3CCCCC3)nn2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridazine?
The InChIKey is SDZFHAWERFDQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3S/c1-15-5-7-16(8-6-15)17-9-10-18(20-19-17)22-14-13-21-11-3-2-4-12-21/h5-10H,2-4,11-14H2,1H3.
What are the key properties of 3-(4-methylphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridazine?
3-(4-methylphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridazine has a molecular weight of 313.47 g/mol, XLogP of 4.03, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-6-(2-piperidin-1-ylethylsulfanyl)pyridazine is sourced from PubChem (CID 7672440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).