3-[3-(dimethylamino)piperidin-1-yl]pyridazine-4-carboxylic acid

C12H18N4O2 — CID 80517330

IUPAC3-[3-(dimethylamino)piperidin-1-yl]pyridazine-4-carboxylic acid
SMILESCN(C)C1CCCN(c2nnccc2C(=O)O)C1
InChIInChI=1S/C12H18N4O2/c1-15(2)9-4-3-7-16(8-9)11-10(12(17)18)5-6-13-14-11/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyOWBHNJAFMIBZKS-UHFFFAOYSA-N
MW250.30 g/mol
LogP0.71
Rot. Bonds3

About 3-[3-(dimethylamino)piperidin-1-yl]pyridazine-4-carboxylic acid

3-[3-(dimethylamino)piperidin-1-yl]pyridazine-4-carboxylic acid (PubChem CID 80517330) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-[3-(dimethylamino)piperidin-1-yl]pyridazine-4-carboxylic acid.

Molecular Properties

Compound Name3-[3-(dimethylamino)piperidin-1-yl]pyridazine-4-carboxylic acid
PubChem CID80517330
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name3-[3-(dimethylamino)piperidin-1-yl]pyridazine-4-carboxylic acid
SMILESCN(C)C1CCCN(c2nnccc2C(=O)O)C1
InChIInChI=1S/C12H18N4O2/c1-15(2)9-4-3-7-16(8-9)11-10(12(17)18)5-6-13-14-11/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,18)
InChIKeyOWBHNJAFMIBZKS-UHFFFAOYSA-N
XLogP0.71
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-(dimethylamino)piperidin-1-yl]pyridazine-4-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

Related Compounds

3-[3-(dimethylamino)piperidin-1-yl]pyridine-4-carboxylic acid
CID 114288772
3-pyrrolidin-1-ylpyridazine-4-carboxylic acid
CID 80517688
2-[3-(dimethylamino)pyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid
CID 63174772
3-[3-(dimethylamino)pyrrolidin-1-yl]pyridine-4-carboxylic acid
CID 114288669
3-(3-phenylpyrrolidin-1-yl)pyridazine-4-carboxylic acid
CID 80516938
5-bromo-2-[3-(dimethylamino)piperidin-1-yl]benzoic acid
CID 114895868
3-(4-methoxypiperidin-1-yl)pyridazine-4-carboxylic acid
CID 80517729
5-[3-(dimethylamino)piperidin-1-yl]pyridine-2-carboxylic acid
CID 115490992
3-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)pyridazine-4-carboxylic acid
CID 80517230
4-[3-(dimethylamino)piperidin-1-yl]pyrimidin-2-amine
CID 80856327
2-[(3R)-3-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]piperidin-1-yl]pyridine-3-carboxylic acid
CID 95897270
ethyl 4-[3-(dimethylamino)piperidin-1-yl]pyridine-3-carboxylate
CID 86804866

Frequently Asked Questions

What is the IUPAC name of 3-[3-(dimethylamino)piperidin-1-yl]pyridazine-4-carboxylic acid?
The IUPAC name of 3-[3-(dimethylamino)piperidin-1-yl]pyridazine-4-carboxylic acid (CID 80517330) is 3-[3-(dimethylamino)piperidin-1-yl]pyridazine-4-carboxylic acid.
What is the SMILES notation for 3-[3-(dimethylamino)piperidin-1-yl]pyridazine-4-carboxylic acid?
The canonical SMILES for 3-[3-(dimethylamino)piperidin-1-yl]pyridazine-4-carboxylic acid is CN(C)C1CCCN(c2nnccc2C(=O)O)C1.
What is the InChIKey of 3-[3-(dimethylamino)piperidin-1-yl]pyridazine-4-carboxylic acid?
The InChIKey is OWBHNJAFMIBZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-15(2)9-4-3-7-16(8-9)11-10(12(17)18)5-6-13-14-11/h5-6,9H,3-4,7-8H2,1-2H3,(H,17,18).
What are the key properties of 3-[3-(dimethylamino)piperidin-1-yl]pyridazine-4-carboxylic acid?
3-[3-(dimethylamino)piperidin-1-yl]pyridazine-4-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(dimethylamino)piperidin-1-yl]pyridazine-4-carboxylic acid is sourced from PubChem (CID 80517330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).