3-[(3-ethylcyclohexyl)amino]pyridazine-4-carboxylic acid

C13H19N3O2 — CID 80516623

IUPAC3-[(3-ethylcyclohexyl)amino]pyridazine-4-carboxylic acid
SMILESCCC1CCCC(Nc2nnccc2C(=O)O)C1
InChIInChI=1S/C13H19N3O2/c1-2-9-4-3-5-10(8-9)15-12-11(13(17)18)6-7-14-16-12/h6-7,9-10H,2-5,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyDAALEKXJFXWVBH-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.56
Rot. Bonds4

About 3-[(3-ethylcyclohexyl)amino]pyridazine-4-carboxylic acid

3-[(3-ethylcyclohexyl)amino]pyridazine-4-carboxylic acid (PubChem CID 80516623) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-[(3-ethylcyclohexyl)amino]pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-[(3-ethylcyclohexyl)amino]pyridazine-4-carboxylic acid
PubChem CID80516623
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-[(3-ethylcyclohexyl)amino]pyridazine-4-carboxylic acid
SMILESCCC1CCCC(Nc2nnccc2C(=O)O)C1
InChIInChI=1S/C13H19N3O2/c1-2-9-4-3-5-10(8-9)15-12-11(13(17)18)6-7-14-16-12/h6-7,9-10H,2-5,8H2,1H3,(H,15,16)(H,17,18)
InChIKeyDAALEKXJFXWVBH-UHFFFAOYSA-N
XLogP2.56
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 ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-ethylcyclohexyl)amino]pyridazine-4-carboxylic acid?
The IUPAC name of 3-[(3-ethylcyclohexyl)amino]pyridazine-4-carboxylic acid (CID 80516623) is 3-[(3-ethylcyclohexyl)amino]pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-[(3-ethylcyclohexyl)amino]pyridazine-4-carboxylic acid?
The canonical SMILES for 3-[(3-ethylcyclohexyl)amino]pyridazine-4-carboxylic acid is CCC1CCCC(Nc2nnccc2C(=O)O)C1.
What is the InChIKey of 3-[(3-ethylcyclohexyl)amino]pyridazine-4-carboxylic acid?
The InChIKey is DAALEKXJFXWVBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-2-9-4-3-5-10(8-9)15-12-11(13(17)18)6-7-14-16-12/h6-7,9-10H,2-5,8H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 3-[(3-ethylcyclohexyl)amino]pyridazine-4-carboxylic acid?
3-[(3-ethylcyclohexyl)amino]pyridazine-4-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-ethylcyclohexyl)amino]pyridazine-4-carboxylic acid is sourced from PubChem (CID 80516623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).