ethyl 3-(2-morpholin-4-ylethylamino)-6-phenylpyridazine-4-carboxylate

C19H24N4O3 — CID 3088559

IUPACethyl 3-(2-morpholin-4-ylethylamino)-6-phenylpyridazine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)nnc1NCCN1CCOCC1
InChIInChI=1S/C19H24N4O3/c1-2-26-19(24)16-14-17(15-6-4-3-5-7-15)21-22-18(16)20-8-9-23-10-12-25-13-11-23/h3-7,14H,2,8-13H2,1H3,(H,20,22)
InChIKeyUUEACXTZIFOPHV-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.06
Rot. Bonds7

About ethyl 3-(2-morpholin-4-ylethylamino)-6-phenylpyridazine-4-carboxylate

ethyl 3-(2-morpholin-4-ylethylamino)-6-phenylpyridazine-4-carboxylate (PubChem CID 3088559) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is ethyl 3-(2-morpholin-4-ylethylamino)-6-phenylpyridazine-4-carboxylate.

Molecular Properties

Compound Nameethyl 3-(2-morpholin-4-ylethylamino)-6-phenylpyridazine-4-carboxylate
PubChem CID3088559
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Nameethyl 3-(2-morpholin-4-ylethylamino)-6-phenylpyridazine-4-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)nnc1NCCN1CCOCC1
InChIInChI=1S/C19H24N4O3/c1-2-26-19(24)16-14-17(15-6-4-3-5-7-15)21-22-18(16)20-8-9-23-10-12-25-13-11-23/h3-7,14H,2,8-13H2,1H3,(H,20,22)
InChIKeyUUEACXTZIFOPHV-UHFFFAOYSA-N
XLogP2.06
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-(2-morpholin-4-ylethylamino)-6-phenylpyridazine-4-carboxylate?
The IUPAC name of ethyl 3-(2-morpholin-4-ylethylamino)-6-phenylpyridazine-4-carboxylate (CID 3088559) is ethyl 3-(2-morpholin-4-ylethylamino)-6-phenylpyridazine-4-carboxylate.
What is the SMILES notation for ethyl 3-(2-morpholin-4-ylethylamino)-6-phenylpyridazine-4-carboxylate?
The canonical SMILES for ethyl 3-(2-morpholin-4-ylethylamino)-6-phenylpyridazine-4-carboxylate is CCOC(=O)c1cc(-c2ccccc2)nnc1NCCN1CCOCC1.
What is the InChIKey of ethyl 3-(2-morpholin-4-ylethylamino)-6-phenylpyridazine-4-carboxylate?
The InChIKey is UUEACXTZIFOPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-2-26-19(24)16-14-17(15-6-4-3-5-7-15)21-22-18(16)20-8-9-23-10-12-25-13-11-23/h3-7,14H,2,8-13H2,1H3,(H,20,22).
What are the key properties of ethyl 3-(2-morpholin-4-ylethylamino)-6-phenylpyridazine-4-carboxylate?
ethyl 3-(2-morpholin-4-ylethylamino)-6-phenylpyridazine-4-carboxylate has a molecular weight of 356.43 g/mol, XLogP of 2.06, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-(2-morpholin-4-ylethylamino)-6-phenylpyridazine-4-carboxylate is sourced from PubChem (CID 3088559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).