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

C17H19N3O3 — CID 71528375

IUPACethyl 4-(6-morpholin-4-ylpyridazin-3-yl)benzoate
SMILESCCOC(=O)c1ccc(-c2ccc(N3CCOCC3)nn2)cc1
InChIInChI=1S/C17H19N3O3/c1-2-23-17(21)14-5-3-13(4-6-14)15-7-8-16(19-18-15)20-9-11-22-12-10-20/h3-8H,2,9-12H2,1H3
InChIKeyOONUCPWMTQUYID-UHFFFAOYSA-N
MW313.36 g/mol
LogP2.16
Rot. Bonds4

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

ethyl 4-(6-morpholin-4-ylpyridazin-3-yl)benzoate (PubChem CID 71528375) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is ethyl 4-(6-morpholin-4-ylpyridazin-3-yl)benzoate.

Molecular Properties

Compound Nameethyl 4-(6-morpholin-4-ylpyridazin-3-yl)benzoate
PubChem CID71528375
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC Nameethyl 4-(6-morpholin-4-ylpyridazin-3-yl)benzoate
SMILESCCOC(=O)c1ccc(-c2ccc(N3CCOCC3)nn2)cc1
InChIInChI=1S/C17H19N3O3/c1-2-23-17(21)14-5-3-13(4-6-14)15-7-8-16(19-18-15)20-9-11-22-12-10-20/h3-8H,2,9-12H2,1H3
InChIKeyOONUCPWMTQUYID-UHFFFAOYSA-N
XLogP2.16
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(6-morpholin-4-ylpyridazin-3-yl)benzoate?
The IUPAC name of ethyl 4-(6-morpholin-4-ylpyridazin-3-yl)benzoate (CID 71528375) is ethyl 4-(6-morpholin-4-ylpyridazin-3-yl)benzoate.
What is the SMILES notation for ethyl 4-(6-morpholin-4-ylpyridazin-3-yl)benzoate?
The canonical SMILES for ethyl 4-(6-morpholin-4-ylpyridazin-3-yl)benzoate is CCOC(=O)c1ccc(-c2ccc(N3CCOCC3)nn2)cc1.
What is the InChIKey of ethyl 4-(6-morpholin-4-ylpyridazin-3-yl)benzoate?
The InChIKey is OONUCPWMTQUYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-2-23-17(21)14-5-3-13(4-6-14)15-7-8-16(19-18-15)20-9-11-22-12-10-20/h3-8H,2,9-12H2,1H3.
What are the key properties of ethyl 4-(6-morpholin-4-ylpyridazin-3-yl)benzoate?
ethyl 4-(6-morpholin-4-ylpyridazin-3-yl)benzoate has a molecular weight of 313.36 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(6-morpholin-4-ylpyridazin-3-yl)benzoate is sourced from PubChem (CID 71528375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).