3-[(3-fluorophenyl)methylsulfanyl]-6-imidazol-1-ylpyridazine

C14H11FN4S — CID 56724863

IUPAC3-[(3-fluorophenyl)methylsulfanyl]-6-imidazol-1-ylpyridazine
SMILESFc1cccc(CSc2ccc(-n3ccnc3)nn2)c1
InChIInChI=1S/C14H11FN4S/c15-12-3-1-2-11(8-12)9-20-14-5-4-13(17-18-14)19-7-6-16-10-19/h1-8,10H,9H2
InChIKeyXHMBYAIRYCTUMD-UHFFFAOYSA-N
MW286.34 g/mol
LogP3.09
Rot. Bonds4

About 3-[(3-fluorophenyl)methylsulfanyl]-6-imidazol-1-ylpyridazine

3-[(3-fluorophenyl)methylsulfanyl]-6-imidazol-1-ylpyridazine (PubChem CID 56724863) has the molecular formula C14H11FN4S and a molecular weight of 286.34 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methylsulfanyl]-6-imidazol-1-ylpyridazine.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methylsulfanyl]-6-imidazol-1-ylpyridazine
PubChem CID56724863
Molecular FormulaC14H11FN4S
Molecular Weight286.34 g/mol
Exact Mass286.07
IUPAC Name3-[(3-fluorophenyl)methylsulfanyl]-6-imidazol-1-ylpyridazine
SMILESFc1cccc(CSc2ccc(-n3ccnc3)nn2)c1
InChIInChI=1S/C14H11FN4S/c15-12-3-1-2-11(8-12)9-20-14-5-4-13(17-18-14)19-7-6-16-10-19/h1-8,10H,9H2
InChIKeyXHMBYAIRYCTUMD-UHFFFAOYSA-N
XLogP3.09
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluorophenyl)methylsulfanyl]-6-imidazol-1-ylpyridazine?
The IUPAC name of 3-[(3-fluorophenyl)methylsulfanyl]-6-imidazol-1-ylpyridazine (CID 56724863) is 3-[(3-fluorophenyl)methylsulfanyl]-6-imidazol-1-ylpyridazine.
What is the SMILES notation for 3-[(3-fluorophenyl)methylsulfanyl]-6-imidazol-1-ylpyridazine?
The canonical SMILES for 3-[(3-fluorophenyl)methylsulfanyl]-6-imidazol-1-ylpyridazine is Fc1cccc(CSc2ccc(-n3ccnc3)nn2)c1.
What is the InChIKey of 3-[(3-fluorophenyl)methylsulfanyl]-6-imidazol-1-ylpyridazine?
The InChIKey is XHMBYAIRYCTUMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11FN4S/c15-12-3-1-2-11(8-12)9-20-14-5-4-13(17-18-14)19-7-6-16-10-19/h1-8,10H,9H2.
What are the key properties of 3-[(3-fluorophenyl)methylsulfanyl]-6-imidazol-1-ylpyridazine?
3-[(3-fluorophenyl)methylsulfanyl]-6-imidazol-1-ylpyridazine has a molecular weight of 286.34 g/mol, XLogP of 3.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methylsulfanyl]-6-imidazol-1-ylpyridazine is sourced from PubChem (CID 56724863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).