6-[(3-ethyl-2-methylcyclopentyl)amino]pyridazine-3-carboxylic acid

C13H19N3O2 — CID 64923554

IUPAC6-[(3-ethyl-2-methylcyclopentyl)amino]pyridazine-3-carboxylic acid
SMILESCCC1CCC(Nc2ccc(C(=O)O)nn2)C1C
InChIInChI=1S/C13H19N3O2/c1-3-9-4-5-10(8(9)2)14-12-7-6-11(13(17)18)15-16-12/h6-10H,3-5H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyNXDZTFSSBYCTCD-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.41
Rot. Bonds4

About 6-[(3-ethyl-2-methylcyclopentyl)amino]pyridazine-3-carboxylic acid

6-[(3-ethyl-2-methylcyclopentyl)amino]pyridazine-3-carboxylic acid (PubChem CID 64923554) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 6-[(3-ethyl-2-methylcyclopentyl)amino]pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-[(3-ethyl-2-methylcyclopentyl)amino]pyridazine-3-carboxylic acid
PubChem CID64923554
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name6-[(3-ethyl-2-methylcyclopentyl)amino]pyridazine-3-carboxylic acid
SMILESCCC1CCC(Nc2ccc(C(=O)O)nn2)C1C
InChIInChI=1S/C13H19N3O2/c1-3-9-4-5-10(8(9)2)14-12-7-6-11(13(17)18)15-16-12/h6-10H,3-5H2,1-2H3,(H,14,16)(H,17,18)
InChIKeyNXDZTFSSBYCTCD-UHFFFAOYSA-N
XLogP2.41
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-[(3-ethyl-2-methylcyclopentyl)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-[(3-ethyl-2-methylcyclopentyl)amino]pyridazine-3-carboxylic acid?
The IUPAC name of 6-[(3-ethyl-2-methylcyclopentyl)amino]pyridazine-3-carboxylic acid (CID 64923554) is 6-[(3-ethyl-2-methylcyclopentyl)amino]pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-[(3-ethyl-2-methylcyclopentyl)amino]pyridazine-3-carboxylic acid?
The canonical SMILES for 6-[(3-ethyl-2-methylcyclopentyl)amino]pyridazine-3-carboxylic acid is CCC1CCC(Nc2ccc(C(=O)O)nn2)C1C.
What is the InChIKey of 6-[(3-ethyl-2-methylcyclopentyl)amino]pyridazine-3-carboxylic acid?
The InChIKey is NXDZTFSSBYCTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-3-9-4-5-10(8(9)2)14-12-7-6-11(13(17)18)15-16-12/h6-10H,3-5H2,1-2H3,(H,14,16)(H,17,18).
What are the key properties of 6-[(3-ethyl-2-methylcyclopentyl)amino]pyridazine-3-carboxylic acid?
6-[(3-ethyl-2-methylcyclopentyl)amino]pyridazine-3-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-ethyl-2-methylcyclopentyl)amino]pyridazine-3-carboxylic acid is sourced from PubChem (CID 64923554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).