6-(3-hydroxypiperidin-1-yl)pyridazine-3-carboxylic acid

C10H13N3O3 — CID 61435325

IUPAC6-(3-hydroxypiperidin-1-yl)pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CCCC(O)C2)nn1
InChIInChI=1S/C10H13N3O3/c14-7-2-1-5-13(6-7)9-4-3-8(10(15)16)11-12-9/h3-4,7,14H,1-2,5-6H2,(H,15,16)
InChIKeyIHKMQUNYZBPGPH-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.14
Rot. Bonds2

About 6-(3-hydroxypiperidin-1-yl)pyridazine-3-carboxylic acid

6-(3-hydroxypiperidin-1-yl)pyridazine-3-carboxylic acid (PubChem CID 61435325) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 6-(3-hydroxypiperidin-1-yl)pyridazine-3-carboxylic acid.

Molecular Properties

Compound Name6-(3-hydroxypiperidin-1-yl)pyridazine-3-carboxylic acid
PubChem CID61435325
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name6-(3-hydroxypiperidin-1-yl)pyridazine-3-carboxylic acid
SMILESO=C(O)c1ccc(N2CCCC(O)C2)nn1
InChIInChI=1S/C10H13N3O3/c14-7-2-1-5-13(6-7)9-4-3-8(10(15)16)11-12-9/h3-4,7,14H,1-2,5-6H2,(H,15,16)
InChIKeyIHKMQUNYZBPGPH-UHFFFAOYSA-N
XLogP0.14
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-1-(6-tert-butylpyridazin-3-yl)piperidin-3-ol
CID 134595598
6-(3-hydroxypiperidin-1-yl)pyrazine-2-carboxylic acid
CID 66457642
N-ethyl-6-[(3S)-3-hydroxypyrrolidin-1-yl]pyridazine-3-carboxamide
CID 113254513
6-(3-methoxypyrrolidin-1-yl)pyridazine-3-carboxylic acid
CID 103534319
6-(4-aminopiperidin-1-yl)pyridazine-3-carboxylic acid
CID 61402767
6-(4-methylpiperidin-1-yl)pyridazine-3-carboxylic acid
CID 20982966
1-[6-(1-methylpyrrolidin-3-yl)pyridazin-3-yl]piperidin-3-ol
CID 116972808
6-(3,4,5-trimethylpiperazin-1-yl)pyridazine-3-carboxylic acid
CID 114537374
6-[(3R,5R)-3,5-dimethylpiperidin-1-yl]pyridazine-3-carboxylic acid
CID 93324573
1-[6-(phenylcarbamoyl)pyridazin-3-yl]piperidine-3-carboxylic acid
CID 122051199
3-[(3S)-3-hydroxypiperidin-1-yl]-1H-pyridazin-6-one
CID 129497593
3-(3-hydroxypiperidin-1-yl)-1H-pyridazin-6-one
CID 121205033

Frequently Asked Questions

What is the IUPAC name of 6-(3-hydroxypiperidin-1-yl)pyridazine-3-carboxylic acid?
The IUPAC name of 6-(3-hydroxypiperidin-1-yl)pyridazine-3-carboxylic acid (CID 61435325) is 6-(3-hydroxypiperidin-1-yl)pyridazine-3-carboxylic acid.
What is the SMILES notation for 6-(3-hydroxypiperidin-1-yl)pyridazine-3-carboxylic acid?
The canonical SMILES for 6-(3-hydroxypiperidin-1-yl)pyridazine-3-carboxylic acid is O=C(O)c1ccc(N2CCCC(O)C2)nn1.
What is the InChIKey of 6-(3-hydroxypiperidin-1-yl)pyridazine-3-carboxylic acid?
The InChIKey is IHKMQUNYZBPGPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-7-2-1-5-13(6-7)9-4-3-8(10(15)16)11-12-9/h3-4,7,14H,1-2,5-6H2,(H,15,16).
What are the key properties of 6-(3-hydroxypiperidin-1-yl)pyridazine-3-carboxylic acid?
6-(3-hydroxypiperidin-1-yl)pyridazine-3-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-hydroxypiperidin-1-yl)pyridazine-3-carboxylic acid is sourced from PubChem (CID 61435325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).