ethyl 6-[ethyl(2-hydroxyethyl)amino]pyridazine-3-carboxylate

C11H17N3O3 — CID 121206161

IUPACethyl 6-[ethyl(2-hydroxyethyl)amino]pyridazine-3-carboxylate
SMILESCCOC(=O)c1ccc(N(CC)CCO)nn1
InChIInChI=1S/C11H17N3O3/c1-3-14(7-8-15)10-6-5-9(12-13-10)11(16)17-4-2/h5-6,15H,3-4,7-8H2,1-2H3
InChIKeyHQGNEHKZEWPUOQ-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.47
Rot. Bonds6

About ethyl 6-[ethyl(2-hydroxyethyl)amino]pyridazine-3-carboxylate

ethyl 6-[ethyl(2-hydroxyethyl)amino]pyridazine-3-carboxylate (PubChem CID 121206161) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is ethyl 6-[ethyl(2-hydroxyethyl)amino]pyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[ethyl(2-hydroxyethyl)amino]pyridazine-3-carboxylate
PubChem CID121206161
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Nameethyl 6-[ethyl(2-hydroxyethyl)amino]pyridazine-3-carboxylate
SMILESCCOC(=O)c1ccc(N(CC)CCO)nn1
InChIInChI=1S/C11H17N3O3/c1-3-14(7-8-15)10-6-5-9(12-13-10)11(16)17-4-2/h5-6,15H,3-4,7-8H2,1-2H3
InChIKeyHQGNEHKZEWPUOQ-UHFFFAOYSA-N
XLogP0.47
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-[ethyl(2-hydroxyethyl)amino]pyridazine-3-carboxylate?
The IUPAC name of ethyl 6-[ethyl(2-hydroxyethyl)amino]pyridazine-3-carboxylate (CID 121206161) is ethyl 6-[ethyl(2-hydroxyethyl)amino]pyridazine-3-carboxylate.
What is the SMILES notation for ethyl 6-[ethyl(2-hydroxyethyl)amino]pyridazine-3-carboxylate?
The canonical SMILES for ethyl 6-[ethyl(2-hydroxyethyl)amino]pyridazine-3-carboxylate is CCOC(=O)c1ccc(N(CC)CCO)nn1.
What is the InChIKey of ethyl 6-[ethyl(2-hydroxyethyl)amino]pyridazine-3-carboxylate?
The InChIKey is HQGNEHKZEWPUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-3-14(7-8-15)10-6-5-9(12-13-10)11(16)17-4-2/h5-6,15H,3-4,7-8H2,1-2H3.
What are the key properties of ethyl 6-[ethyl(2-hydroxyethyl)amino]pyridazine-3-carboxylate?
ethyl 6-[ethyl(2-hydroxyethyl)amino]pyridazine-3-carboxylate has a molecular weight of 239.27 g/mol, XLogP of 0.47, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[ethyl(2-hydroxyethyl)amino]pyridazine-3-carboxylate is sourced from PubChem (CID 121206161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).