ethyl (6-morpholin-4-ylpyridazin-3-yl) carbonate

C11H15N3O4 — CID 70249585

IUPACethyl (6-morpholin-4-ylpyridazin-3-yl) carbonate
SMILESCCOC(=O)Oc1ccc(N2CCOCC2)nn1
InChIInChI=1S/C11H15N3O4/c1-2-17-11(15)18-10-4-3-9(12-13-10)14-5-7-16-8-6-14/h3-4H,2,5-8H2,1H3
InChIKeyOUVMIFSUEUYAHB-UHFFFAOYSA-N
MW253.26 g/mol
LogP0.85
Rot. Bonds3

About ethyl (6-morpholin-4-ylpyridazin-3-yl) carbonate

ethyl (6-morpholin-4-ylpyridazin-3-yl) carbonate (PubChem CID 70249585) has the molecular formula C11H15N3O4 and a molecular weight of 253.26 g/mol. Its IUPAC name is ethyl (6-morpholin-4-ylpyridazin-3-yl) carbonate.

Molecular Properties

Compound Nameethyl (6-morpholin-4-ylpyridazin-3-yl) carbonate
PubChem CID70249585
Molecular FormulaC11H15N3O4
Molecular Weight253.26 g/mol
Exact Mass253.11
IUPAC Nameethyl (6-morpholin-4-ylpyridazin-3-yl) carbonate
SMILESCCOC(=O)Oc1ccc(N2CCOCC2)nn1
InChIInChI=1S/C11H15N3O4/c1-2-17-11(15)18-10-4-3-9(12-13-10)14-5-7-16-8-6-14/h3-4H,2,5-8H2,1H3
InChIKeyOUVMIFSUEUYAHB-UHFFFAOYSA-N
XLogP0.85
TPSA73.78 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.26
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl (6-morpholin-4-ylpyridazin-3-yl) carbonate?
The IUPAC name of ethyl (6-morpholin-4-ylpyridazin-3-yl) carbonate (CID 70249585) is ethyl (6-morpholin-4-ylpyridazin-3-yl) carbonate.
What is the SMILES notation for ethyl (6-morpholin-4-ylpyridazin-3-yl) carbonate?
The canonical SMILES for ethyl (6-morpholin-4-ylpyridazin-3-yl) carbonate is CCOC(=O)Oc1ccc(N2CCOCC2)nn1.
What is the InChIKey of ethyl (6-morpholin-4-ylpyridazin-3-yl) carbonate?
The InChIKey is OUVMIFSUEUYAHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3O4/c1-2-17-11(15)18-10-4-3-9(12-13-10)14-5-7-16-8-6-14/h3-4H,2,5-8H2,1H3.
What are the key properties of ethyl (6-morpholin-4-ylpyridazin-3-yl) carbonate?
ethyl (6-morpholin-4-ylpyridazin-3-yl) carbonate has a molecular weight of 253.26 g/mol, XLogP of 0.85, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (6-morpholin-4-ylpyridazin-3-yl) carbonate is sourced from PubChem (CID 70249585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).