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

C14H18N4S — CID 121031417

IUPAC3-cyclohexylsulfanyl-6-(2-methylimidazol-1-yl)pyridazine
SMILESCc1nccn1-c1ccc(SC2CCCCC2)nn1
InChIInChI=1S/C14H18N4S/c1-11-15-9-10-18(11)13-7-8-14(17-16-13)19-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3
InChIKeyUJKXQPJYPLFTTN-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.40
Rot. Bonds3

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

3-cyclohexylsulfanyl-6-(2-methylimidazol-1-yl)pyridazine (PubChem CID 121031417) has the molecular formula C14H18N4S and a molecular weight of 274.39 g/mol. Its IUPAC name is 3-cyclohexylsulfanyl-6-(2-methylimidazol-1-yl)pyridazine.

Molecular Properties

Compound Name3-cyclohexylsulfanyl-6-(2-methylimidazol-1-yl)pyridazine
PubChem CID121031417
Molecular FormulaC14H18N4S
Molecular Weight274.39 g/mol
Exact Mass274.13
IUPAC Name3-cyclohexylsulfanyl-6-(2-methylimidazol-1-yl)pyridazine
SMILESCc1nccn1-c1ccc(SC2CCCCC2)nn1
InChIInChI=1S/C14H18N4S/c1-11-15-9-10-18(11)13-7-8-14(17-16-13)19-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3
InChIKeyUJKXQPJYPLFTTN-UHFFFAOYSA-N
XLogP3.40
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
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-cyclohexylsulfanyl-6-(2-methylimidazol-1-yl)pyridazine?
The IUPAC name of 3-cyclohexylsulfanyl-6-(2-methylimidazol-1-yl)pyridazine (CID 121031417) is 3-cyclohexylsulfanyl-6-(2-methylimidazol-1-yl)pyridazine.
What is the SMILES notation for 3-cyclohexylsulfanyl-6-(2-methylimidazol-1-yl)pyridazine?
The canonical SMILES for 3-cyclohexylsulfanyl-6-(2-methylimidazol-1-yl)pyridazine is Cc1nccn1-c1ccc(SC2CCCCC2)nn1.
What is the InChIKey of 3-cyclohexylsulfanyl-6-(2-methylimidazol-1-yl)pyridazine?
The InChIKey is UJKXQPJYPLFTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4S/c1-11-15-9-10-18(11)13-7-8-14(17-16-13)19-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3.
What are the key properties of 3-cyclohexylsulfanyl-6-(2-methylimidazol-1-yl)pyridazine?
3-cyclohexylsulfanyl-6-(2-methylimidazol-1-yl)pyridazine has a molecular weight of 274.39 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexylsulfanyl-6-(2-methylimidazol-1-yl)pyridazine is sourced from PubChem (CID 121031417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).