6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylic acid

C11H9ClN4O2S — CID 138620526

IUPAC6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylic acid
SMILESCSc1cccnc1Nc1cc(Cl)nnc1C(=O)O
InChIInChI=1S/C11H9ClN4O2S/c1-19-7-3-2-4-13-10(7)14-6-5-8(12)15-16-9(6)11(17)18/h2-5H,1H3,(H,17,18)(H,13,14,15)
InChIKeyKCEXPQVONFLAQQ-UHFFFAOYSA-N
MW296.74 g/mol
LogP2.69
Rot. Bonds4

About 6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylic acid

6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylic acid (PubChem CID 138620526) has the molecular formula C11H9ClN4O2S and a molecular weight of 296.74 g/mol. Its IUPAC name is 6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylic acid
PubChem CID138620526
Molecular FormulaC11H9ClN4O2S
Molecular Weight296.74 g/mol
Exact Mass296.01
IUPAC Name6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylic acid
SMILESCSc1cccnc1Nc1cc(Cl)nnc1C(=O)O
InChIInChI=1S/C11H9ClN4O2S/c1-19-7-3-2-4-13-10(7)14-6-5-8(12)15-16-9(6)11(17)18/h2-5H,1H3,(H,17,18)(H,13,14,15)
InChIKeyKCEXPQVONFLAQQ-UHFFFAOYSA-N
XLogP2.69
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.74
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylic acid?
The IUPAC name of 6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylic acid (CID 138620526) is 6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylic acid is CSc1cccnc1Nc1cc(Cl)nnc1C(=O)O.
What is the InChIKey of 6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylic acid?
The InChIKey is KCEXPQVONFLAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O2S/c1-19-7-3-2-4-13-10(7)14-6-5-8(12)15-16-9(6)11(17)18/h2-5H,1H3,(H,17,18)(H,13,14,15).
What are the key properties of 6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylic acid?
6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylic acid has a molecular weight of 296.74 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-[(3-methylsulfanyl-2-pyridinyl)amino]pyridazine-3-carboxylic acid is sourced from PubChem (CID 138620526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).