3-[(2-fluorophenyl)methylsulfanyl]-6-(2-methylimidazol-1-yl)pyridazine

C15H13FN4S — CID 121031377

IUPAC3-[(2-fluorophenyl)methylsulfanyl]-6-(2-methylimidazol-1-yl)pyridazine
SMILESCc1nccn1-c1ccc(SCc2ccccc2F)nn1
InChIInChI=1S/C15H13FN4S/c1-11-17-8-9-20(11)14-6-7-15(19-18-14)21-10-12-4-2-3-5-13(12)16/h2-9H,10H2,1H3
InChIKeyPIVFGXNUFAPPOR-UHFFFAOYSA-N
MW300.36 g/mol
LogP3.40
Rot. Bonds4

About 3-[(2-fluorophenyl)methylsulfanyl]-6-(2-methylimidazol-1-yl)pyridazine

3-[(2-fluorophenyl)methylsulfanyl]-6-(2-methylimidazol-1-yl)pyridazine (PubChem CID 121031377) has the molecular formula C15H13FN4S and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-[(2-fluorophenyl)methylsulfanyl]-6-(2-methylimidazol-1-yl)pyridazine.

Molecular Properties

Compound Name3-[(2-fluorophenyl)methylsulfanyl]-6-(2-methylimidazol-1-yl)pyridazine
PubChem CID121031377
Molecular FormulaC15H13FN4S
Molecular Weight300.36 g/mol
Exact Mass300.08
IUPAC Name3-[(2-fluorophenyl)methylsulfanyl]-6-(2-methylimidazol-1-yl)pyridazine
SMILESCc1nccn1-c1ccc(SCc2ccccc2F)nn1
InChIInChI=1S/C15H13FN4S/c1-11-17-8-9-20(11)14-6-7-15(19-18-14)21-10-12-4-2-3-5-13(12)16/h2-9H,10H2,1H3
InChIKeyPIVFGXNUFAPPOR-UHFFFAOYSA-N
XLogP3.40
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-fluorophenyl)methylsulfanyl]-6-(2-methylimidazol-1-yl)pyridazine?
The IUPAC name of 3-[(2-fluorophenyl)methylsulfanyl]-6-(2-methylimidazol-1-yl)pyridazine (CID 121031377) is 3-[(2-fluorophenyl)methylsulfanyl]-6-(2-methylimidazol-1-yl)pyridazine.
What is the SMILES notation for 3-[(2-fluorophenyl)methylsulfanyl]-6-(2-methylimidazol-1-yl)pyridazine?
The canonical SMILES for 3-[(2-fluorophenyl)methylsulfanyl]-6-(2-methylimidazol-1-yl)pyridazine is Cc1nccn1-c1ccc(SCc2ccccc2F)nn1.
What is the InChIKey of 3-[(2-fluorophenyl)methylsulfanyl]-6-(2-methylimidazol-1-yl)pyridazine?
The InChIKey is PIVFGXNUFAPPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4S/c1-11-17-8-9-20(11)14-6-7-15(19-18-14)21-10-12-4-2-3-5-13(12)16/h2-9H,10H2,1H3.
What are the key properties of 3-[(2-fluorophenyl)methylsulfanyl]-6-(2-methylimidazol-1-yl)pyridazine?
3-[(2-fluorophenyl)methylsulfanyl]-6-(2-methylimidazol-1-yl)pyridazine has a molecular weight of 300.36 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-fluorophenyl)methylsulfanyl]-6-(2-methylimidazol-1-yl)pyridazine is sourced from PubChem (CID 121031377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).