methyl 6-(azetidin-3-yloxy)pyridazine-3-carboxylate

C9H11N3O3 — CID 63104615

IUPACmethyl 6-(azetidin-3-yloxy)pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(OC2CNC2)nn1
InChIInChI=1S/C9H11N3O3/c1-14-9(13)7-2-3-8(12-11-7)15-6-4-10-5-6/h2-3,6,10H,4-5H2,1H3
InChIKeyCNOMBPFPPSATTK-UHFFFAOYSA-N
MW209.20 g/mol
LogP-0.39
Rot. Bonds3

About methyl 6-(azetidin-3-yloxy)pyridazine-3-carboxylate

methyl 6-(azetidin-3-yloxy)pyridazine-3-carboxylate (PubChem CID 63104615) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is methyl 6-(azetidin-3-yloxy)pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(azetidin-3-yloxy)pyridazine-3-carboxylate
PubChem CID63104615
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Namemethyl 6-(azetidin-3-yloxy)pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(OC2CNC2)nn1
InChIInChI=1S/C9H11N3O3/c1-14-9(13)7-2-3-8(12-11-7)15-6-4-10-5-6/h2-3,6,10H,4-5H2,1H3
InChIKeyCNOMBPFPPSATTK-UHFFFAOYSA-N
XLogP-0.39
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-0.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(azetidin-3-yloxy)pyridazine-3-carboxylate?
The IUPAC name of methyl 6-(azetidin-3-yloxy)pyridazine-3-carboxylate (CID 63104615) is methyl 6-(azetidin-3-yloxy)pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-(azetidin-3-yloxy)pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-(azetidin-3-yloxy)pyridazine-3-carboxylate is COC(=O)c1ccc(OC2CNC2)nn1.
What is the InChIKey of methyl 6-(azetidin-3-yloxy)pyridazine-3-carboxylate?
The InChIKey is CNOMBPFPPSATTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-14-9(13)7-2-3-8(12-11-7)15-6-4-10-5-6/h2-3,6,10H,4-5H2,1H3.
What are the key properties of methyl 6-(azetidin-3-yloxy)pyridazine-3-carboxylate?
methyl 6-(azetidin-3-yloxy)pyridazine-3-carboxylate has a molecular weight of 209.20 g/mol, XLogP of -0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(azetidin-3-yloxy)pyridazine-3-carboxylate is sourced from PubChem (CID 63104615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).