3-(4-methylphenyl)-6-[(E)-3-phenylprop-2-enyl]sulfanylpyridazine

C20H18N2S — CID 121031260

IUPAC3-(4-methylphenyl)-6-[(E)-3-phenylprop-2-enyl]sulfanylpyridazine
SMILESCc1ccc(-c2ccc(SC/C=C/c3ccccc3)nn2)cc1
InChIInChI=1S/C20H18N2S/c1-16-9-11-18(12-10-16)19-13-14-20(22-21-19)23-15-5-8-17-6-3-2-4-7-17/h2-14H,15H2,1H3/b8-5+
InChIKeyYZZVLNQFXIVLHM-VMPITWQZSA-N
MW318.44 g/mol
LogP5.26
Rot. Bonds5

About 3-(4-methylphenyl)-6-[(E)-3-phenylprop-2-enyl]sulfanylpyridazine

3-(4-methylphenyl)-6-[(E)-3-phenylprop-2-enyl]sulfanylpyridazine (PubChem CID 121031260) has the molecular formula C20H18N2S and a molecular weight of 318.44 g/mol. Its IUPAC name is 3-(4-methylphenyl)-6-[(E)-3-phenylprop-2-enyl]sulfanylpyridazine.

Molecular Properties

Compound Name3-(4-methylphenyl)-6-[(E)-3-phenylprop-2-enyl]sulfanylpyridazine
PubChem CID121031260
Molecular FormulaC20H18N2S
Molecular Weight318.44 g/mol
Exact Mass318.12
IUPAC Name3-(4-methylphenyl)-6-[(E)-3-phenylprop-2-enyl]sulfanylpyridazine
SMILESCc1ccc(-c2ccc(SC/C=C/c3ccccc3)nn2)cc1
InChIInChI=1S/C20H18N2S/c1-16-9-11-18(12-10-16)19-13-14-20(22-21-19)23-15-5-8-17-6-3-2-4-7-17/h2-14H,15H2,1H3/b8-5+
InChIKeyYZZVLNQFXIVLHM-VMPITWQZSA-N
XLogP5.26
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.44
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(4-methylphenyl)-6-[(E)-3-phenylprop-2-enyl]sulfanylpyridazine 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-[(E)-3-phenylprop-2-enyl]sulfanylpyridazine?
The IUPAC name of 3-(4-methylphenyl)-6-[(E)-3-phenylprop-2-enyl]sulfanylpyridazine (CID 121031260) is 3-(4-methylphenyl)-6-[(E)-3-phenylprop-2-enyl]sulfanylpyridazine.
What is the SMILES notation for 3-(4-methylphenyl)-6-[(E)-3-phenylprop-2-enyl]sulfanylpyridazine?
The canonical SMILES for 3-(4-methylphenyl)-6-[(E)-3-phenylprop-2-enyl]sulfanylpyridazine is Cc1ccc(-c2ccc(SC/C=C/c3ccccc3)nn2)cc1.
What is the InChIKey of 3-(4-methylphenyl)-6-[(E)-3-phenylprop-2-enyl]sulfanylpyridazine?
The InChIKey is YZZVLNQFXIVLHM-VMPITWQZSA-N. The full InChI is InChI=1S/C20H18N2S/c1-16-9-11-18(12-10-16)19-13-14-20(22-21-19)23-15-5-8-17-6-3-2-4-7-17/h2-14H,15H2,1H3/b8-5+.
What are the key properties of 3-(4-methylphenyl)-6-[(E)-3-phenylprop-2-enyl]sulfanylpyridazine?
3-(4-methylphenyl)-6-[(E)-3-phenylprop-2-enyl]sulfanylpyridazine has a molecular weight of 318.44 g/mol, XLogP of 5.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)-6-[(E)-3-phenylprop-2-enyl]sulfanylpyridazine is sourced from PubChem (CID 121031260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).