2-(3-ethyl-6-methylpyridazin-4-yl)-5-iodo-1,3,4-thiadiazole

C9H9IN4S — CID 104672417

IUPAC2-(3-ethyl-6-methylpyridazin-4-yl)-5-iodo-1,3,4-thiadiazole
SMILESCCc1nnc(C)cc1-c1nnc(I)s1
InChIInChI=1S/C9H9IN4S/c1-3-7-6(4-5(2)11-12-7)8-13-14-9(10)15-8/h4H,3H2,1-2H3
InChIKeyJIZVWDMEOZATAT-UHFFFAOYSA-N
MW332.17 g/mol
LogP2.47
Rot. Bonds2

About 2-(3-ethyl-6-methylpyridazin-4-yl)-5-iodo-1,3,4-thiadiazole

2-(3-ethyl-6-methylpyridazin-4-yl)-5-iodo-1,3,4-thiadiazole (PubChem CID 104672417) has the molecular formula C9H9IN4S and a molecular weight of 332.17 g/mol. Its IUPAC name is 2-(3-ethyl-6-methylpyridazin-4-yl)-5-iodo-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-(3-ethyl-6-methylpyridazin-4-yl)-5-iodo-1,3,4-thiadiazole
PubChem CID104672417
Molecular FormulaC9H9IN4S
Molecular Weight332.17 g/mol
Exact Mass331.96
IUPAC Name2-(3-ethyl-6-methylpyridazin-4-yl)-5-iodo-1,3,4-thiadiazole
SMILESCCc1nnc(C)cc1-c1nnc(I)s1
InChIInChI=1S/C9H9IN4S/c1-3-7-6(4-5(2)11-12-7)8-13-14-9(10)15-8/h4H,3H2,1-2H3
InChIKeyJIZVWDMEOZATAT-UHFFFAOYSA-N
XLogP2.47
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.17
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-ethyl-6-methylpyridazin-4-yl)-5-iodo-1,3,4-thiadiazole?
The IUPAC name of 2-(3-ethyl-6-methylpyridazin-4-yl)-5-iodo-1,3,4-thiadiazole (CID 104672417) is 2-(3-ethyl-6-methylpyridazin-4-yl)-5-iodo-1,3,4-thiadiazole.
What is the SMILES notation for 2-(3-ethyl-6-methylpyridazin-4-yl)-5-iodo-1,3,4-thiadiazole?
The canonical SMILES for 2-(3-ethyl-6-methylpyridazin-4-yl)-5-iodo-1,3,4-thiadiazole is CCc1nnc(C)cc1-c1nnc(I)s1.
What is the InChIKey of 2-(3-ethyl-6-methylpyridazin-4-yl)-5-iodo-1,3,4-thiadiazole?
The InChIKey is JIZVWDMEOZATAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9IN4S/c1-3-7-6(4-5(2)11-12-7)8-13-14-9(10)15-8/h4H,3H2,1-2H3.
What are the key properties of 2-(3-ethyl-6-methylpyridazin-4-yl)-5-iodo-1,3,4-thiadiazole?
2-(3-ethyl-6-methylpyridazin-4-yl)-5-iodo-1,3,4-thiadiazole has a molecular weight of 332.17 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-ethyl-6-methylpyridazin-4-yl)-5-iodo-1,3,4-thiadiazole is sourced from PubChem (CID 104672417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).