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

C15H14N4S — CID 121031375

IUPAC3-benzylsulfanyl-6-(2-methylimidazol-1-yl)pyridazine
SMILESCc1nccn1-c1ccc(SCc2ccccc2)nn1
InChIInChI=1S/C15H14N4S/c1-12-16-9-10-19(12)14-7-8-15(18-17-14)20-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyDHLARRIDKUKOLW-UHFFFAOYSA-N
MW282.37 g/mol
LogP3.26
Rot. Bonds4

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

3-benzylsulfanyl-6-(2-methylimidazol-1-yl)pyridazine (PubChem CID 121031375) has the molecular formula C15H14N4S and a molecular weight of 282.37 g/mol. Its IUPAC name is 3-benzylsulfanyl-6-(2-methylimidazol-1-yl)pyridazine.

Molecular Properties

Compound Name3-benzylsulfanyl-6-(2-methylimidazol-1-yl)pyridazine
PubChem CID121031375
Molecular FormulaC15H14N4S
Molecular Weight282.37 g/mol
Exact Mass282.09
IUPAC Name3-benzylsulfanyl-6-(2-methylimidazol-1-yl)pyridazine
SMILESCc1nccn1-c1ccc(SCc2ccccc2)nn1
InChIInChI=1S/C15H14N4S/c1-12-16-9-10-19(12)14-7-8-15(18-17-14)20-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3
InChIKeyDHLARRIDKUKOLW-UHFFFAOYSA-N
XLogP3.26
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-benzylsulfanyl-6-(2-methylimidazol-1-yl)pyridazine?
The IUPAC name of 3-benzylsulfanyl-6-(2-methylimidazol-1-yl)pyridazine (CID 121031375) is 3-benzylsulfanyl-6-(2-methylimidazol-1-yl)pyridazine.
What is the SMILES notation for 3-benzylsulfanyl-6-(2-methylimidazol-1-yl)pyridazine?
The canonical SMILES for 3-benzylsulfanyl-6-(2-methylimidazol-1-yl)pyridazine is Cc1nccn1-c1ccc(SCc2ccccc2)nn1.
What is the InChIKey of 3-benzylsulfanyl-6-(2-methylimidazol-1-yl)pyridazine?
The InChIKey is DHLARRIDKUKOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4S/c1-12-16-9-10-19(12)14-7-8-15(18-17-14)20-11-13-5-3-2-4-6-13/h2-10H,11H2,1H3.
What are the key properties of 3-benzylsulfanyl-6-(2-methylimidazol-1-yl)pyridazine?
3-benzylsulfanyl-6-(2-methylimidazol-1-yl)pyridazine has a molecular weight of 282.37 g/mol, XLogP of 3.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylsulfanyl-6-(2-methylimidazol-1-yl)pyridazine is sourced from PubChem (CID 121031375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).