6-[(3-chlorophenyl)methylsulfanyl]tetrazolo[1,5-b]pyridazine

C11H8ClN5S — CID 47406141

IUPAC6-[(3-chlorophenyl)methylsulfanyl]tetrazolo[1,5-b]pyridazine
SMILESClc1cccc(CSc2ccc3nnnn3n2)c1
InChIInChI=1S/C11H8ClN5S/c12-9-3-1-2-8(6-9)7-18-11-5-4-10-13-15-16-17(10)14-11/h1-6H,7H2
InChIKeyWGKSSIJQZIQDLK-UHFFFAOYSA-N
MW277.74 g/mol
LogP2.46
Rot. Bonds3

About 6-[(3-chlorophenyl)methylsulfanyl]tetrazolo[1,5-b]pyridazine

6-[(3-chlorophenyl)methylsulfanyl]tetrazolo[1,5-b]pyridazine (PubChem CID 47406141) has the molecular formula C11H8ClN5S and a molecular weight of 277.74 g/mol. Its IUPAC name is 6-[(3-chlorophenyl)methylsulfanyl]tetrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name6-[(3-chlorophenyl)methylsulfanyl]tetrazolo[1,5-b]pyridazine
PubChem CID47406141
Molecular FormulaC11H8ClN5S
Molecular Weight277.74 g/mol
Exact Mass277.02
IUPAC Name6-[(3-chlorophenyl)methylsulfanyl]tetrazolo[1,5-b]pyridazine
SMILESClc1cccc(CSc2ccc3nnnn3n2)c1
InChIInChI=1S/C11H8ClN5S/c12-9-3-1-2-8(6-9)7-18-11-5-4-10-13-15-16-17(10)14-11/h1-6H,7H2
InChIKeyWGKSSIJQZIQDLK-UHFFFAOYSA-N
XLogP2.46
TPSA55.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.74
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-chlorophenyl)methylsulfanyl]tetrazolo[1,5-b]pyridazine?
The IUPAC name of 6-[(3-chlorophenyl)methylsulfanyl]tetrazolo[1,5-b]pyridazine (CID 47406141) is 6-[(3-chlorophenyl)methylsulfanyl]tetrazolo[1,5-b]pyridazine.
What is the SMILES notation for 6-[(3-chlorophenyl)methylsulfanyl]tetrazolo[1,5-b]pyridazine?
The canonical SMILES for 6-[(3-chlorophenyl)methylsulfanyl]tetrazolo[1,5-b]pyridazine is Clc1cccc(CSc2ccc3nnnn3n2)c1.
What is the InChIKey of 6-[(3-chlorophenyl)methylsulfanyl]tetrazolo[1,5-b]pyridazine?
The InChIKey is WGKSSIJQZIQDLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClN5S/c12-9-3-1-2-8(6-9)7-18-11-5-4-10-13-15-16-17(10)14-11/h1-6H,7H2.
What are the key properties of 6-[(3-chlorophenyl)methylsulfanyl]tetrazolo[1,5-b]pyridazine?
6-[(3-chlorophenyl)methylsulfanyl]tetrazolo[1,5-b]pyridazine has a molecular weight of 277.74 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-chlorophenyl)methylsulfanyl]tetrazolo[1,5-b]pyridazine is sourced from PubChem (CID 47406141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).