1-(6-oxo-1H-pyridazin-4-yl)piperidine-2-carboxylic acid

C10H13N3O3 — CID 91812145

IUPAC1-(6-oxo-1H-pyridazin-4-yl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1c1cn[nH]c(=O)c1
InChIInChI=1S/C10H13N3O3/c14-9-5-7(6-11-12-9)13-4-2-1-3-8(13)10(15)16/h5-6,8H,1-4H2,(H,12,14)(H,15,16)
InChIKeyVTTUTBKWPSRGCV-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.21
Rot. Bonds2

About 1-(6-oxo-1H-pyridazin-4-yl)piperidine-2-carboxylic acid

1-(6-oxo-1H-pyridazin-4-yl)piperidine-2-carboxylic acid (PubChem CID 91812145) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 1-(6-oxo-1H-pyridazin-4-yl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(6-oxo-1H-pyridazin-4-yl)piperidine-2-carboxylic acid
PubChem CID91812145
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name1-(6-oxo-1H-pyridazin-4-yl)piperidine-2-carboxylic acid
SMILESO=C(O)C1CCCCN1c1cn[nH]c(=O)c1
InChIInChI=1S/C10H13N3O3/c14-9-5-7(6-11-12-9)13-4-2-1-3-8(13)10(15)16/h5-6,8H,1-4H2,(H,12,14)(H,15,16)
InChIKeyVTTUTBKWPSRGCV-UHFFFAOYSA-N
XLogP0.21
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-1H-pyridazin-4-yl)piperidine-2-carboxylic acid?
The IUPAC name of 1-(6-oxo-1H-pyridazin-4-yl)piperidine-2-carboxylic acid (CID 91812145) is 1-(6-oxo-1H-pyridazin-4-yl)piperidine-2-carboxylic acid.
What is the SMILES notation for 1-(6-oxo-1H-pyridazin-4-yl)piperidine-2-carboxylic acid?
The canonical SMILES for 1-(6-oxo-1H-pyridazin-4-yl)piperidine-2-carboxylic acid is O=C(O)C1CCCCN1c1cn[nH]c(=O)c1.
What is the InChIKey of 1-(6-oxo-1H-pyridazin-4-yl)piperidine-2-carboxylic acid?
The InChIKey is VTTUTBKWPSRGCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-9-5-7(6-11-12-9)13-4-2-1-3-8(13)10(15)16/h5-6,8H,1-4H2,(H,12,14)(H,15,16).
What are the key properties of 1-(6-oxo-1H-pyridazin-4-yl)piperidine-2-carboxylic acid?
1-(6-oxo-1H-pyridazin-4-yl)piperidine-2-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-1H-pyridazin-4-yl)piperidine-2-carboxylic acid is sourced from PubChem (CID 91812145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).