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

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Related Compounds

6-[(4S)-4-methylazepan-1-yl]pyridazine-3-carboxylic acid
CID 164630257
6-(Piperazin-1-yl)pyridazine-3-carboxylic acid
CID 53627717
6-(2,2,2-Trifluoroethylamino)pyridazine-3-carboxylic acid
CID 60791675
6-[[2-(4-Fluorophenyl)-2-methylpropyl]amino]pyridazine-3-carboxylic acid
CID 68233147
6-[(4-Fluorophenyl)methylamino]pyridazine-3-carboxylic acid
CID 54919536
6-[2-(4-Fluorophenyl)ethylamino]pyridazine-3-carboxylic acid
CID 60790544
6-[2-(2-Fluorophenyl)ethylamino]pyridazine-3-carboxylic acid
CID 60790701
6-[(2-Fluorophenyl)methylamino]pyridazine-3-carboxylic acid
CID 60791172
6-[[3-(Trifluoromethyl)phenyl]methylamino]pyridazine-3-carboxylic acid
CID 60791654
6-[(3-Fluorophenyl)methylamino]pyridazine-3-carboxylic acid
CID 60791954
6-[2-(3-Fluorophenyl)ethylamino]pyridazine-3-carboxylic acid
CID 60792264
6-[1-(4-Fluorophenyl)ethylamino]pyridazine-3-carboxylic acid
CID 61502481

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).