methyl 6-[3-(1-hydroxyethyl)piperidin-1-yl]pyridazine-3-carboxylate

C13H19N3O3 — CID 133397967

IUPACmethyl 6-[3-(1-hydroxyethyl)piperidin-1-yl]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCCC(C(C)O)C2)nn1
InChIInChI=1S/C13H19N3O3/c1-9(17)10-4-3-7-16(8-10)12-6-5-11(14-15-12)13(18)19-2/h5-6,9-10,17H,3-4,7-8H2,1-2H3
InChIKeySIZCUKZFXWQHJI-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.86
Rot. Bonds3

About methyl 6-[3-(1-hydroxyethyl)piperidin-1-yl]pyridazine-3-carboxylate

methyl 6-[3-(1-hydroxyethyl)piperidin-1-yl]pyridazine-3-carboxylate (PubChem CID 133397967) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 6-[3-(1-hydroxyethyl)piperidin-1-yl]pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[3-(1-hydroxyethyl)piperidin-1-yl]pyridazine-3-carboxylate
PubChem CID133397967
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Namemethyl 6-[3-(1-hydroxyethyl)piperidin-1-yl]pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCCC(C(C)O)C2)nn1
InChIInChI=1S/C13H19N3O3/c1-9(17)10-4-3-7-16(8-10)12-6-5-11(14-15-12)13(18)19-2/h5-6,9-10,17H,3-4,7-8H2,1-2H3
InChIKeySIZCUKZFXWQHJI-UHFFFAOYSA-N
XLogP0.86
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 6-[3-(hydroxymethyl)piperidin-1-yl]pyridazine-3-carboxylate
CID 60979698
1-(6-methoxycarbonylpyridazin-3-yl)pyrrolidine-3-carboxylic acid
CID 63031839
methyl 6-[3-(morpholin-4-ylmethyl)piperidin-1-yl]pyridazine-3-carboxylate
CID 133322299
methyl 6-[3-(aminomethyl)pyrrolidin-1-yl]pyridazine-3-carboxylate
CID 62063099
methyl 6-[(3S)-3-anilinopyrrolidin-1-yl]pyridazine-3-carboxylate
CID 96524339
methyl 6-(4-cyclohexyloxypiperidin-1-yl)pyridazine-3-carboxylate
CID 133278361
N-butan-2-yl-6-(3-methylpiperidin-1-yl)pyridazine-3-carboxamide
CID 109111616
methyl 6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyridazine-3-carboxylate
CID 133279613
methyl 6-[(3aR,6aR)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]pyridazine-3-carboxylate
CID 129497824
methyl 6-thiomorpholin-4-ylpyridazine-3-carboxylate
CID 75415769
methyl 6-morpholin-4-ylpyridazine-3-carboxylate
CID 121206139
ethyl 6-[(3S)-3-methylpiperidin-1-yl]pyridazine-3-carboxylate
CID 129495548

Frequently Asked Questions

What is the IUPAC name of methyl 6-[3-(1-hydroxyethyl)piperidin-1-yl]pyridazine-3-carboxylate?
The IUPAC name of methyl 6-[3-(1-hydroxyethyl)piperidin-1-yl]pyridazine-3-carboxylate (CID 133397967) is methyl 6-[3-(1-hydroxyethyl)piperidin-1-yl]pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-[3-(1-hydroxyethyl)piperidin-1-yl]pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-[3-(1-hydroxyethyl)piperidin-1-yl]pyridazine-3-carboxylate is COC(=O)c1ccc(N2CCCC(C(C)O)C2)nn1.
What is the InChIKey of methyl 6-[3-(1-hydroxyethyl)piperidin-1-yl]pyridazine-3-carboxylate?
The InChIKey is SIZCUKZFXWQHJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-9(17)10-4-3-7-16(8-10)12-6-5-11(14-15-12)13(18)19-2/h5-6,9-10,17H,3-4,7-8H2,1-2H3.
What are the key properties of methyl 6-[3-(1-hydroxyethyl)piperidin-1-yl]pyridazine-3-carboxylate?
methyl 6-[3-(1-hydroxyethyl)piperidin-1-yl]pyridazine-3-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[3-(1-hydroxyethyl)piperidin-1-yl]pyridazine-3-carboxylate is sourced from PubChem (CID 133397967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).