2-[2-(ethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one

C12H20N4O2 — CID 114394647

IUPAC2-[2-(ethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one
SMILESCCNCCn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C12H20N4O2/c1-2-13-3-4-16-12(17)9-11(10-14-16)15-5-7-18-8-6-15/h9-10,13H,2-8H2,1H3
InChIKeyZXZWAAFNNUHQJX-UHFFFAOYSA-N
MW252.32 g/mol
LogP-0.31
Rot. Bonds5

About 2-[2-(ethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one

2-[2-(ethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one (PubChem CID 114394647) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-[2-(ethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(ethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one
PubChem CID114394647
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2-[2-(ethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one
SMILESCCNCCn1ncc(N2CCOCC2)cc1=O
InChIInChI=1S/C12H20N4O2/c1-2-13-3-4-16-12(17)9-11(10-14-16)15-5-7-18-8-6-15/h9-10,13H,2-8H2,1H3
InChIKeyZXZWAAFNNUHQJX-UHFFFAOYSA-N
XLogP-0.31
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 5-0.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(cyclopropylmethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one
CID 114397506
5-morpholin-4-yl-2-[3-(propylamino)propyl]pyridazin-3-one
CID 114394656
5-morpholin-4-yl-2-[4-(propan-2-ylamino)butyl]pyridazin-3-one
CID 114397515
2-(3-aminopropyl)-5-morpholin-4-ylpyridazin-3-one
CID 114393701
5-morpholin-4-yl-2-(2-oxopropyl)pyridazin-3-one
CID 1479795
5-morpholin-4-yl-2-(5-sulfanylpentyl)pyridazin-3-one
CID 114398871
2-(6-hydroxyhexyl)-5-morpholin-4-ylpyridazin-3-one
CID 107705269
2-[2-(oxan-4-ylamino)ethyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 114397411
2-[2-(2-methoxyethylamino)ethyl]-5-piperidin-1-ylpyridazin-3-one
CID 114397548
2-[2-(azetidin-3-yl)ethyl]-5-morpholin-4-ylpyridazin-3-one
CID 107391429
2-(2-methyl-3-sulfanylpropyl)-5-morpholin-4-ylpyridazin-3-one
CID 114398865
2-(3,3-dimethyl-2-oxobutyl)-5-morpholin-4-ylpyridazin-3-one
CID 114396109

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one?
The IUPAC name of 2-[2-(ethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one (CID 114394647) is 2-[2-(ethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-(ethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one?
The canonical SMILES for 2-[2-(ethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one is CCNCCn1ncc(N2CCOCC2)cc1=O.
What is the InChIKey of 2-[2-(ethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one?
The InChIKey is ZXZWAAFNNUHQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-2-13-3-4-16-12(17)9-11(10-14-16)15-5-7-18-8-6-15/h9-10,13H,2-8H2,1H3.
What are the key properties of 2-[2-(ethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one?
2-[2-(ethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one has a molecular weight of 252.32 g/mol, XLogP of -0.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one is sourced from PubChem (CID 114394647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).