1-(4-cyanopyridazin-3-yl)piperidine-3-carboxylic acid

C11H12N4O2 — CID 80507826

IUPAC1-(4-cyanopyridazin-3-yl)piperidine-3-carboxylic acid
SMILESN#Cc1ccnnc1N1CCCC(C(=O)O)C1
InChIInChI=1S/C11H12N4O2/c12-6-8-3-4-13-14-10(8)15-5-1-2-9(7-15)11(16)17/h3-4,9H,1-2,5,7H2,(H,16,17)
InChIKeyAIEZWCCTNCSBOC-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.65
Rot. Bonds2

About 1-(4-cyanopyridazin-3-yl)piperidine-3-carboxylic acid

1-(4-cyanopyridazin-3-yl)piperidine-3-carboxylic acid (PubChem CID 80507826) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-(4-cyanopyridazin-3-yl)piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(4-cyanopyridazin-3-yl)piperidine-3-carboxylic acid
PubChem CID80507826
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name1-(4-cyanopyridazin-3-yl)piperidine-3-carboxylic acid
SMILESN#Cc1ccnnc1N1CCCC(C(=O)O)C1
InChIInChI=1S/C11H12N4O2/c12-6-8-3-4-13-14-10(8)15-5-1-2-9(7-15)11(16)17/h3-4,9H,1-2,5,7H2,(H,16,17)
InChIKeyAIEZWCCTNCSBOC-UHFFFAOYSA-N
XLogP0.65
TPSA90.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-cyanopyridazin-3-yl)azetidine-3-carboxylic acid
CID 80508256
2-[1-(4-cyanopyridazin-3-yl)piperidin-3-yl]-2-methylpropanoic acid
CID 83197968
3-[3-(trifluoromethyl)piperidin-1-yl]pyridazine-4-carbonitrile
CID 80510057
3-(3-hydroxypyrrolidin-1-yl)pyridazine-4-carbonitrile
CID 80509512
3-(3-ethoxypiperidin-1-yl)pyridazine-4-carbonitrile
CID 80510417
3-(3-phenylpyrrolidin-1-yl)pyridazine-4-carbonitrile
CID 80509809
1-(2-chloro-6-cyanophenyl)piperidine-3-carboxylic acid
CID 120964825
1-(3-chloro-4-cyanophenyl)piperidine-3-carboxylic acid
CID 62944659
(3R)-1-pyridazin-4-ylpiperidine-3-carboxylic acid
CID 124676115
3-[1-(4-cyanopyridazin-3-yl)piperidin-4-yl]oxypropanoic acid
CID 80508688
4-(4-cyanopyridazin-3-yl)morpholine-2-carbonitrile
CID 80508208
1-(4-cyanopyridazin-3-yl)-N-methylpiperidine-2-carboxamide
CID 80510373

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanopyridazin-3-yl)piperidine-3-carboxylic acid?
The IUPAC name of 1-(4-cyanopyridazin-3-yl)piperidine-3-carboxylic acid (CID 80507826) is 1-(4-cyanopyridazin-3-yl)piperidine-3-carboxylic acid.
What is the SMILES notation for 1-(4-cyanopyridazin-3-yl)piperidine-3-carboxylic acid?
The canonical SMILES for 1-(4-cyanopyridazin-3-yl)piperidine-3-carboxylic acid is N#Cc1ccnnc1N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-(4-cyanopyridazin-3-yl)piperidine-3-carboxylic acid?
The InChIKey is AIEZWCCTNCSBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c12-6-8-3-4-13-14-10(8)15-5-1-2-9(7-15)11(16)17/h3-4,9H,1-2,5,7H2,(H,16,17).
What are the key properties of 1-(4-cyanopyridazin-3-yl)piperidine-3-carboxylic acid?
1-(4-cyanopyridazin-3-yl)piperidine-3-carboxylic acid has a molecular weight of 232.24 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyanopyridazin-3-yl)piperidine-3-carboxylic acid is sourced from PubChem (CID 80507826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).