2-[6-(4-cyclohexylpiperazin-1-yl)pyridazin-3-yl]oxyacetic acid

C16H24N4O3 — CID 118760059

IUPAC2-[6-(4-cyclohexylpiperazin-1-yl)pyridazin-3-yl]oxyacetic acid
SMILESO=C(O)COc1ccc(N2CCN(C3CCCCC3)CC2)nn1
InChIInChI=1S/C16H24N4O3/c21-16(22)12-23-15-7-6-14(17-18-15)20-10-8-19(9-11-20)13-4-2-1-3-5-13/h6-7,13H,1-5,8-12H2,(H,21,22)
InChIKeyWCHNTRKENOWUDA-UHFFFAOYSA-N
MW320.39 g/mol
LogP1.39
Rot. Bonds5

About 2-[6-(4-cyclohexylpiperazin-1-yl)pyridazin-3-yl]oxyacetic acid

2-[6-(4-cyclohexylpiperazin-1-yl)pyridazin-3-yl]oxyacetic acid (PubChem CID 118760059) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[6-(4-cyclohexylpiperazin-1-yl)pyridazin-3-yl]oxyacetic acid.

Molecular Properties

Compound Name2-[6-(4-cyclohexylpiperazin-1-yl)pyridazin-3-yl]oxyacetic acid
PubChem CID118760059
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC Name2-[6-(4-cyclohexylpiperazin-1-yl)pyridazin-3-yl]oxyacetic acid
SMILESO=C(O)COc1ccc(N2CCN(C3CCCCC3)CC2)nn1
InChIInChI=1S/C16H24N4O3/c21-16(22)12-23-15-7-6-14(17-18-15)20-10-8-19(9-11-20)13-4-2-1-3-5-13/h6-7,13H,1-5,8-12H2,(H,21,22)
InChIKeyWCHNTRKENOWUDA-UHFFFAOYSA-N
XLogP1.39
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[6-[4-(2-Piperidin-4-ylethyl)piperazin-1-yl]pyridazin-3-yl]oxyacetic acid;dihydrochloride
CID 19602887
2-[6-[4-(2-Piperidin-4-ylethyl)piperazin-1-yl]pyridazin-3-yl]oxyacetic acid
CID 19602888
Tert-butyl 4-[2-[4-[6-(2-methoxy-2-oxoethoxy)pyridazin-3-yl]piperazin-1-yl]ethyl]piperidine-1-carboxylate
CID 19602889
3-(2-Ethoxyethoxy)-6-piperidin-1-ylpyridazine
CID 58071604
3-[4-(6-Octoxypyridazin-3-yl)piperazin-1-yl]propanoic acid
CID 74766705
3-[3-Ethyl-4-(6-octoxypyridazin-3-yl)piperazin-1-yl]propanoic acid
CID 90177845
4-(6-Octoxypyridazin-3-yl)piperazine-1-carboxylic acid
CID 118389806
Ethyl 3-[4-(6-octoxypyridazin-3-yl)piperazin-1-yl]propanoate
CID 118389810
[6-(4-Methylpiperazin-1-yl)pyridazin-3-yl] acetate
CID 174584342
1-[4-(6-Cyclohexyloxypyridazin-3-yl)piperazin-1-yl]ethanone
CID 30773653
1-[4-(6-Cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-2-methoxyethanone
CID 30773681
1-[4-(6-Cyclohexyloxypyridazin-3-yl)piperazin-1-yl]-2-ethoxyethanone
CID 30773683

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-cyclohexylpiperazin-1-yl)pyridazin-3-yl]oxyacetic acid?
The IUPAC name of 2-[6-(4-cyclohexylpiperazin-1-yl)pyridazin-3-yl]oxyacetic acid (CID 118760059) is 2-[6-(4-cyclohexylpiperazin-1-yl)pyridazin-3-yl]oxyacetic acid.
What is the SMILES notation for 2-[6-(4-cyclohexylpiperazin-1-yl)pyridazin-3-yl]oxyacetic acid?
The canonical SMILES for 2-[6-(4-cyclohexylpiperazin-1-yl)pyridazin-3-yl]oxyacetic acid is O=C(O)COc1ccc(N2CCN(C3CCCCC3)CC2)nn1.
What is the InChIKey of 2-[6-(4-cyclohexylpiperazin-1-yl)pyridazin-3-yl]oxyacetic acid?
The InChIKey is WCHNTRKENOWUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3/c21-16(22)12-23-15-7-6-14(17-18-15)20-10-8-19(9-11-20)13-4-2-1-3-5-13/h6-7,13H,1-5,8-12H2,(H,21,22).
What are the key properties of 2-[6-(4-cyclohexylpiperazin-1-yl)pyridazin-3-yl]oxyacetic acid?
2-[6-(4-cyclohexylpiperazin-1-yl)pyridazin-3-yl]oxyacetic acid has a molecular weight of 320.39 g/mol, XLogP of 1.39, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-cyclohexylpiperazin-1-yl)pyridazin-3-yl]oxyacetic acid is sourced from PubChem (CID 118760059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).