3-(2-methylimidazol-1-yl)-6-(1-phenylethylsulfanyl)pyridazine

C16H16N4S — CID 121031419

IUPAC3-(2-methylimidazol-1-yl)-6-(1-phenylethylsulfanyl)pyridazine
SMILESCc1nccn1-c1ccc(SC(C)c2ccccc2)nn1
InChIInChI=1S/C16H16N4S/c1-12(14-6-4-3-5-7-14)21-16-9-8-15(18-19-16)20-11-10-17-13(20)2/h3-12H,1-2H3
InChIKeyJGORCRFRCODIAA-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.82
Rot. Bonds4

About 3-(2-methylimidazol-1-yl)-6-(1-phenylethylsulfanyl)pyridazine

3-(2-methylimidazol-1-yl)-6-(1-phenylethylsulfanyl)pyridazine (PubChem CID 121031419) has the molecular formula C16H16N4S and a molecular weight of 296.40 g/mol. Its IUPAC name is 3-(2-methylimidazol-1-yl)-6-(1-phenylethylsulfanyl)pyridazine.

Molecular Properties

Compound Name3-(2-methylimidazol-1-yl)-6-(1-phenylethylsulfanyl)pyridazine
PubChem CID121031419
Molecular FormulaC16H16N4S
Molecular Weight296.40 g/mol
Exact Mass296.11
IUPAC Name3-(2-methylimidazol-1-yl)-6-(1-phenylethylsulfanyl)pyridazine
SMILESCc1nccn1-c1ccc(SC(C)c2ccccc2)nn1
InChIInChI=1S/C16H16N4S/c1-12(14-6-4-3-5-7-14)21-16-9-8-15(18-19-16)20-11-10-17-13(20)2/h3-12H,1-2H3
InChIKeyJGORCRFRCODIAA-UHFFFAOYSA-N
XLogP3.82
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylimidazol-1-yl)-6-(1-phenylethylsulfanyl)pyridazine?
The IUPAC name of 3-(2-methylimidazol-1-yl)-6-(1-phenylethylsulfanyl)pyridazine (CID 121031419) is 3-(2-methylimidazol-1-yl)-6-(1-phenylethylsulfanyl)pyridazine.
What is the SMILES notation for 3-(2-methylimidazol-1-yl)-6-(1-phenylethylsulfanyl)pyridazine?
The canonical SMILES for 3-(2-methylimidazol-1-yl)-6-(1-phenylethylsulfanyl)pyridazine is Cc1nccn1-c1ccc(SC(C)c2ccccc2)nn1.
What is the InChIKey of 3-(2-methylimidazol-1-yl)-6-(1-phenylethylsulfanyl)pyridazine?
The InChIKey is JGORCRFRCODIAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4S/c1-12(14-6-4-3-5-7-14)21-16-9-8-15(18-19-16)20-11-10-17-13(20)2/h3-12H,1-2H3.
What are the key properties of 3-(2-methylimidazol-1-yl)-6-(1-phenylethylsulfanyl)pyridazine?
3-(2-methylimidazol-1-yl)-6-(1-phenylethylsulfanyl)pyridazine has a molecular weight of 296.40 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylimidazol-1-yl)-6-(1-phenylethylsulfanyl)pyridazine is sourced from PubChem (CID 121031419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).