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

C9H9ClN4S — CID 104672413

IUPAC2-chloro-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-thiadiazole
SMILESCCc1nnc(C)cc1-c1nnc(Cl)s1
InChIInChI=1S/C9H9ClN4S/c1-3-7-6(4-5(2)11-12-7)8-13-14-9(10)15-8/h4H,3H2,1-2H3
InChIKeyIGIBXSDHZGCZGZ-UHFFFAOYSA-N
MW240.72 g/mol
LogP2.52
Rot. Bonds2

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

2-chloro-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-thiadiazole (PubChem CID 104672413) has the molecular formula C9H9ClN4S and a molecular weight of 240.72 g/mol. Its IUPAC name is 2-chloro-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-thiadiazole.

Molecular Properties

Compound Name2-chloro-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-thiadiazole
PubChem CID104672413
Molecular FormulaC9H9ClN4S
Molecular Weight240.72 g/mol
Exact Mass240.02
IUPAC Name2-chloro-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-thiadiazole
SMILESCCc1nnc(C)cc1-c1nnc(Cl)s1
InChIInChI=1S/C9H9ClN4S/c1-3-7-6(4-5(2)11-12-7)8-13-14-9(10)15-8/h4H,3H2,1-2H3
InChIKeyIGIBXSDHZGCZGZ-UHFFFAOYSA-N
XLogP2.52
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-thiadiazole?
The IUPAC name of 2-chloro-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-thiadiazole (CID 104672413) is 2-chloro-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-thiadiazole.
What is the SMILES notation for 2-chloro-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-thiadiazole?
The canonical SMILES for 2-chloro-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-thiadiazole is CCc1nnc(C)cc1-c1nnc(Cl)s1.
What is the InChIKey of 2-chloro-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-thiadiazole?
The InChIKey is IGIBXSDHZGCZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4S/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-chloro-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-thiadiazole?
2-chloro-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-thiadiazole has a molecular weight of 240.72 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3-ethyl-6-methylpyridazin-4-yl)-1,3,4-thiadiazole is sourced from PubChem (CID 104672413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).