6-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridazine-3-carboxylic acid

C10H10N4O2S — CID 55012365

IUPAC6-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridazine-3-carboxylic acid
SMILESCN(Cc1cscn1)c1ccc(C(=O)O)nn1
InChIInChI=1S/C10H10N4O2S/c1-14(4-7-5-17-6-11-7)9-3-2-8(10(15)16)12-13-9/h2-3,5-6H,4H2,1H3,(H,15,16)
InChIKeyFKMYBKGETBOTRY-UHFFFAOYSA-N
MW250.28 g/mol
LogP1.27
Rot. Bonds4

About 6-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridazine-3-carboxylic acid

6-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridazine-3-carboxylic acid (PubChem CID 55012365) has the molecular formula C10H10N4O2S and a molecular weight of 250.28 g/mol. Its IUPAC name is 6-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridazine-3-carboxylic acid
PubChem CID55012365
Molecular FormulaC10H10N4O2S
Molecular Weight250.28 g/mol
Exact Mass250.05
IUPAC Name6-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridazine-3-carboxylic acid
SMILESCN(Cc1cscn1)c1ccc(C(=O)O)nn1
InChIInChI=1S/C10H10N4O2S/c1-14(4-7-5-17-6-11-7)9-3-2-8(10(15)16)12-13-9/h2-3,5-6H,4H2,1H3,(H,15,16)
InChIKeyFKMYBKGETBOTRY-UHFFFAOYSA-N
XLogP1.27
TPSA79.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[methyl(1,3-thiazol-4-ylmethyl)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-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridazine-3-carboxylic acid (CID 55012365) is 6-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridazine-3-carboxylic acid is CN(Cc1cscn1)c1ccc(C(=O)O)nn1.
What is the InChIKey of 6-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridazine-3-carboxylic acid?
The InChIKey is FKMYBKGETBOTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O2S/c1-14(4-7-5-17-6-11-7)9-3-2-8(10(15)16)12-13-9/h2-3,5-6H,4H2,1H3,(H,15,16).
What are the key properties of 6-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridazine-3-carboxylic acid?
6-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridazine-3-carboxylic acid has a molecular weight of 250.28 g/mol, XLogP of 1.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridazine-3-carboxylic acid is sourced from PubChem (CID 55012365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).