4-[[(6-oxo-1H-pyridazin-3-yl)amino]methyl]piperidine-1-carboxylic acid

C11H16N4O3 — CID 91596873

IUPAC4-[[(6-oxo-1H-pyridazin-3-yl)amino]methyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CNc2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C11H16N4O3/c16-10-2-1-9(13-14-10)12-7-8-3-5-15(6-4-8)11(17)18/h1-2,8H,3-7H2,(H,12,13)(H,14,16)(H,17,18)
InChIKeyWAOUYAVVMZSNSW-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.57
Rot. Bonds3

About 4-[[(6-oxo-1H-pyridazin-3-yl)amino]methyl]piperidine-1-carboxylic acid

4-[[(6-oxo-1H-pyridazin-3-yl)amino]methyl]piperidine-1-carboxylic acid (PubChem CID 91596873) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 4-[[(6-oxo-1H-pyridazin-3-yl)amino]methyl]piperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[[(6-oxo-1H-pyridazin-3-yl)amino]methyl]piperidine-1-carboxylic acid
PubChem CID91596873
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name4-[[(6-oxo-1H-pyridazin-3-yl)amino]methyl]piperidine-1-carboxylic acid
SMILESO=C(O)N1CCC(CNc2ccc(=O)[nH]n2)CC1
InChIInChI=1S/C11H16N4O3/c16-10-2-1-9(13-14-10)12-7-8-3-5-15(6-4-8)11(17)18/h1-2,8H,3-7H2,(H,12,13)(H,14,16)(H,17,18)
InChIKeyWAOUYAVVMZSNSW-UHFFFAOYSA-N
XLogP0.57
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[(6-oxo-1H-pyridazin-3-yl)amino]methyl]piperidine-1-carboxylic acid?
The IUPAC name of 4-[[(6-oxo-1H-pyridazin-3-yl)amino]methyl]piperidine-1-carboxylic acid (CID 91596873) is 4-[[(6-oxo-1H-pyridazin-3-yl)amino]methyl]piperidine-1-carboxylic acid.
What is the SMILES notation for 4-[[(6-oxo-1H-pyridazin-3-yl)amino]methyl]piperidine-1-carboxylic acid?
The canonical SMILES for 4-[[(6-oxo-1H-pyridazin-3-yl)amino]methyl]piperidine-1-carboxylic acid is O=C(O)N1CCC(CNc2ccc(=O)[nH]n2)CC1.
What is the InChIKey of 4-[[(6-oxo-1H-pyridazin-3-yl)amino]methyl]piperidine-1-carboxylic acid?
The InChIKey is WAOUYAVVMZSNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c16-10-2-1-9(13-14-10)12-7-8-3-5-15(6-4-8)11(17)18/h1-2,8H,3-7H2,(H,12,13)(H,14,16)(H,17,18).
What are the key properties of 4-[[(6-oxo-1H-pyridazin-3-yl)amino]methyl]piperidine-1-carboxylic acid?
4-[[(6-oxo-1H-pyridazin-3-yl)amino]methyl]piperidine-1-carboxylic acid has a molecular weight of 252.27 g/mol, XLogP of 0.57, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(6-oxo-1H-pyridazin-3-yl)amino]methyl]piperidine-1-carboxylic acid is sourced from PubChem (CID 91596873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).