5-chloro-3-pyridazin-4-yl-1,2,4-thiadiazole

C6H3ClN4S — CID 89426371

IUPAC5-chloro-3-pyridazin-4-yl-1,2,4-thiadiazole
SMILESClc1nc(-c2ccnnc2)ns1
InChIInChI=1S/C6H3ClN4S/c7-6-10-5(11-12-6)4-1-2-8-9-3-4/h1-3H
InChIKeyYDXIARQPHNJOPW-UHFFFAOYSA-N
MW198.64 g/mol
LogP1.65
Rot. Bonds1

About 5-chloro-3-pyridazin-4-yl-1,2,4-thiadiazole

5-chloro-3-pyridazin-4-yl-1,2,4-thiadiazole (PubChem CID 89426371) has the molecular formula C6H3ClN4S and a molecular weight of 198.64 g/mol. Its IUPAC name is 5-chloro-3-pyridazin-4-yl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-chloro-3-pyridazin-4-yl-1,2,4-thiadiazole
PubChem CID89426371
Molecular FormulaC6H3ClN4S
Molecular Weight198.64 g/mol
Exact Mass197.98
IUPAC Name5-chloro-3-pyridazin-4-yl-1,2,4-thiadiazole
SMILESClc1nc(-c2ccnnc2)ns1
InChIInChI=1S/C6H3ClN4S/c7-6-10-5(11-12-6)4-1-2-8-9-3-4/h1-3H
InChIKeyYDXIARQPHNJOPW-UHFFFAOYSA-N
XLogP1.65
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.64
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-pyridazin-4-yl-1,2,4-thiadiazole?
The IUPAC name of 5-chloro-3-pyridazin-4-yl-1,2,4-thiadiazole (CID 89426371) is 5-chloro-3-pyridazin-4-yl-1,2,4-thiadiazole.
What is the SMILES notation for 5-chloro-3-pyridazin-4-yl-1,2,4-thiadiazole?
The canonical SMILES for 5-chloro-3-pyridazin-4-yl-1,2,4-thiadiazole is Clc1nc(-c2ccnnc2)ns1.
What is the InChIKey of 5-chloro-3-pyridazin-4-yl-1,2,4-thiadiazole?
The InChIKey is YDXIARQPHNJOPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClN4S/c7-6-10-5(11-12-6)4-1-2-8-9-3-4/h1-3H.
What are the key properties of 5-chloro-3-pyridazin-4-yl-1,2,4-thiadiazole?
5-chloro-3-pyridazin-4-yl-1,2,4-thiadiazole has a molecular weight of 198.64 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-pyridazin-4-yl-1,2,4-thiadiazole is sourced from PubChem (CID 89426371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).