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

C11H12N4O2 — CID 80507754

IUPAC1-(4-cyanopyridazin-3-yl)piperidine-4-carboxylic acid
SMILESN#Cc1ccnnc1N1CCC(C(=O)O)CC1
InChIInChI=1S/C11H12N4O2/c12-7-9-1-4-13-14-10(9)15-5-2-8(3-6-15)11(16)17/h1,4,8H,2-3,5-6H2,(H,16,17)
InChIKeyYZLRLUYQNDDIMZ-UHFFFAOYSA-N
MW232.24 g/mol
LogP0.65
Rot. Bonds2

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

1-(4-cyanopyridazin-3-yl)piperidine-4-carboxylic acid (PubChem CID 80507754) has the molecular formula C11H12N4O2 and a molecular weight of 232.24 g/mol. Its IUPAC name is 1-(4-cyanopyridazin-3-yl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(4-cyanopyridazin-3-yl)piperidine-4-carboxylic acid
PubChem CID80507754
Molecular FormulaC11H12N4O2
Molecular Weight232.24 g/mol
Exact Mass232.10
IUPAC Name1-(4-cyanopyridazin-3-yl)piperidine-4-carboxylic acid
SMILESN#Cc1ccnnc1N1CCC(C(=O)O)CC1
InChIInChI=1S/C11H12N4O2/c12-7-9-1-4-13-14-10(9)15-5-2-8(3-6-15)11(16)17/h1,4,8H,2-3,5-6H2,(H,16,17)
InChIKeyYZLRLUYQNDDIMZ-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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Frequently Asked Questions

What is the IUPAC name of 1-(4-cyanopyridazin-3-yl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(4-cyanopyridazin-3-yl)piperidine-4-carboxylic acid (CID 80507754) is 1-(4-cyanopyridazin-3-yl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(4-cyanopyridazin-3-yl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(4-cyanopyridazin-3-yl)piperidine-4-carboxylic acid is N#Cc1ccnnc1N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-(4-cyanopyridazin-3-yl)piperidine-4-carboxylic acid?
The InChIKey is YZLRLUYQNDDIMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O2/c12-7-9-1-4-13-14-10(9)15-5-2-8(3-6-15)11(16)17/h1,4,8H,2-3,5-6H2,(H,16,17).
What are the key properties of 1-(4-cyanopyridazin-3-yl)piperidine-4-carboxylic acid?
1-(4-cyanopyridazin-3-yl)piperidine-4-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-4-carboxylic acid is sourced from PubChem (CID 80507754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).