3-imidazol-1-yl-6-(2-methoxyethylsulfanyl)pyridazine

C10H12N4OS — CID 56766256

IUPAC3-imidazol-1-yl-6-(2-methoxyethylsulfanyl)pyridazine
SMILESCOCCSc1ccc(-n2ccnc2)nn1
InChIInChI=1S/C10H12N4OS/c1-15-6-7-16-10-3-2-9(12-13-10)14-5-4-11-8-14/h2-5,8H,6-7H2,1H3
InChIKeyZCWUNPCHWBZTCM-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.40
Rot. Bonds5

About 3-imidazol-1-yl-6-(2-methoxyethylsulfanyl)pyridazine

3-imidazol-1-yl-6-(2-methoxyethylsulfanyl)pyridazine (PubChem CID 56766256) has the molecular formula C10H12N4OS and a molecular weight of 236.30 g/mol. Its IUPAC name is 3-imidazol-1-yl-6-(2-methoxyethylsulfanyl)pyridazine.

Molecular Properties

Compound Name3-imidazol-1-yl-6-(2-methoxyethylsulfanyl)pyridazine
PubChem CID56766256
Molecular FormulaC10H12N4OS
Molecular Weight236.30 g/mol
Exact Mass236.07
IUPAC Name3-imidazol-1-yl-6-(2-methoxyethylsulfanyl)pyridazine
SMILESCOCCSc1ccc(-n2ccnc2)nn1
InChIInChI=1S/C10H12N4OS/c1-15-6-7-16-10-3-2-9(12-13-10)14-5-4-11-8-14/h2-5,8H,6-7H2,1H3
InChIKeyZCWUNPCHWBZTCM-UHFFFAOYSA-N
XLogP1.40
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-imidazol-1-yl-6-(2-methoxyethylsulfanyl)pyridazine?
The IUPAC name of 3-imidazol-1-yl-6-(2-methoxyethylsulfanyl)pyridazine (CID 56766256) is 3-imidazol-1-yl-6-(2-methoxyethylsulfanyl)pyridazine.
What is the SMILES notation for 3-imidazol-1-yl-6-(2-methoxyethylsulfanyl)pyridazine?
The canonical SMILES for 3-imidazol-1-yl-6-(2-methoxyethylsulfanyl)pyridazine is COCCSc1ccc(-n2ccnc2)nn1.
What is the InChIKey of 3-imidazol-1-yl-6-(2-methoxyethylsulfanyl)pyridazine?
The InChIKey is ZCWUNPCHWBZTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4OS/c1-15-6-7-16-10-3-2-9(12-13-10)14-5-4-11-8-14/h2-5,8H,6-7H2,1H3.
What are the key properties of 3-imidazol-1-yl-6-(2-methoxyethylsulfanyl)pyridazine?
3-imidazol-1-yl-6-(2-methoxyethylsulfanyl)pyridazine has a molecular weight of 236.30 g/mol, XLogP of 1.40, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-imidazol-1-yl-6-(2-methoxyethylsulfanyl)pyridazine is sourced from PubChem (CID 56766256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).