3-(2-methoxyphenyl)-6-[(4-nitrophenyl)methylsulfanyl]pyridazine

C18H15N3O3S — CID 7206087

IUPAC3-(2-methoxyphenyl)-6-[(4-nitrophenyl)methylsulfanyl]pyridazine
SMILESCOc1ccccc1-c1ccc(SCc2ccc([N+](=O)[O-])cc2)nn1
InChIInChI=1S/C18H15N3O3S/c1-24-17-5-3-2-4-15(17)16-10-11-18(20-19-16)25-12-13-6-8-14(9-7-13)21(22)23/h2-11H,12H2,1H3
InChIKeyXZCDOTCRXRWIRZ-UHFFFAOYSA-N
MW353.40 g/mol
LogP4.35
Rot. Bonds6

About 3-(2-methoxyphenyl)-6-[(4-nitrophenyl)methylsulfanyl]pyridazine

3-(2-methoxyphenyl)-6-[(4-nitrophenyl)methylsulfanyl]pyridazine (PubChem CID 7206087) has the molecular formula C18H15N3O3S and a molecular weight of 353.40 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-6-[(4-nitrophenyl)methylsulfanyl]pyridazine.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-6-[(4-nitrophenyl)methylsulfanyl]pyridazine
PubChem CID7206087
Molecular FormulaC18H15N3O3S
Molecular Weight353.40 g/mol
Exact Mass353.08
IUPAC Name3-(2-methoxyphenyl)-6-[(4-nitrophenyl)methylsulfanyl]pyridazine
SMILESCOc1ccccc1-c1ccc(SCc2ccc([N+](=O)[O-])cc2)nn1
InChIInChI=1S/C18H15N3O3S/c1-24-17-5-3-2-4-15(17)16-10-11-18(20-19-16)25-12-13-6-8-14(9-7-13)21(22)23/h2-11H,12H2,1H3
InChIKeyXZCDOTCRXRWIRZ-UHFFFAOYSA-N
XLogP4.35
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(2-methoxyphenyl)-6-[(4-nitrophenyl)methylsulfanyl]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-(2-methoxyphenyl)-6-[(4-nitrophenyl)methylsulfanyl]pyridazine?
The IUPAC name of 3-(2-methoxyphenyl)-6-[(4-nitrophenyl)methylsulfanyl]pyridazine (CID 7206087) is 3-(2-methoxyphenyl)-6-[(4-nitrophenyl)methylsulfanyl]pyridazine.
What is the SMILES notation for 3-(2-methoxyphenyl)-6-[(4-nitrophenyl)methylsulfanyl]pyridazine?
The canonical SMILES for 3-(2-methoxyphenyl)-6-[(4-nitrophenyl)methylsulfanyl]pyridazine is COc1ccccc1-c1ccc(SCc2ccc([N+](=O)[O-])cc2)nn1.
What is the InChIKey of 3-(2-methoxyphenyl)-6-[(4-nitrophenyl)methylsulfanyl]pyridazine?
The InChIKey is XZCDOTCRXRWIRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3S/c1-24-17-5-3-2-4-15(17)16-10-11-18(20-19-16)25-12-13-6-8-14(9-7-13)21(22)23/h2-11H,12H2,1H3.
What are the key properties of 3-(2-methoxyphenyl)-6-[(4-nitrophenyl)methylsulfanyl]pyridazine?
3-(2-methoxyphenyl)-6-[(4-nitrophenyl)methylsulfanyl]pyridazine has a molecular weight of 353.40 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-6-[(4-nitrophenyl)methylsulfanyl]pyridazine is sourced from PubChem (CID 7206087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).