methyl 6-(4-methylpiperidin-3-yl)oxypyridazine-3-carboxylate

C12H17N3O3 — CID 102954453

IUPACmethyl 6-(4-methylpiperidin-3-yl)oxypyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(OC2CNCCC2C)nn1
InChIInChI=1S/C12H17N3O3/c1-8-5-6-13-7-10(8)18-11-4-3-9(14-15-11)12(16)17-2/h3-4,8,10,13H,5-7H2,1-2H3
InChIKeyGZWPKOOTAYHGMO-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.64
Rot. Bonds3

About methyl 6-(4-methylpiperidin-3-yl)oxypyridazine-3-carboxylate

methyl 6-(4-methylpiperidin-3-yl)oxypyridazine-3-carboxylate (PubChem CID 102954453) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is methyl 6-(4-methylpiperidin-3-yl)oxypyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4-methylpiperidin-3-yl)oxypyridazine-3-carboxylate
PubChem CID102954453
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Namemethyl 6-(4-methylpiperidin-3-yl)oxypyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(OC2CNCCC2C)nn1
InChIInChI=1S/C12H17N3O3/c1-8-5-6-13-7-10(8)18-11-4-3-9(14-15-11)12(16)17-2/h3-4,8,10,13H,5-7H2,1-2H3
InChIKeyGZWPKOOTAYHGMO-UHFFFAOYSA-N
XLogP0.64
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(4-methylpiperidin-3-yl)oxypyridazine-3-carboxylate?
The IUPAC name of methyl 6-(4-methylpiperidin-3-yl)oxypyridazine-3-carboxylate (CID 102954453) is methyl 6-(4-methylpiperidin-3-yl)oxypyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-(4-methylpiperidin-3-yl)oxypyridazine-3-carboxylate?
The canonical SMILES for methyl 6-(4-methylpiperidin-3-yl)oxypyridazine-3-carboxylate is COC(=O)c1ccc(OC2CNCCC2C)nn1.
What is the InChIKey of methyl 6-(4-methylpiperidin-3-yl)oxypyridazine-3-carboxylate?
The InChIKey is GZWPKOOTAYHGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8-5-6-13-7-10(8)18-11-4-3-9(14-15-11)12(16)17-2/h3-4,8,10,13H,5-7H2,1-2H3.
What are the key properties of methyl 6-(4-methylpiperidin-3-yl)oxypyridazine-3-carboxylate?
methyl 6-(4-methylpiperidin-3-yl)oxypyridazine-3-carboxylate has a molecular weight of 251.29 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4-methylpiperidin-3-yl)oxypyridazine-3-carboxylate is sourced from PubChem (CID 102954453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).