5-(dimethylamino)-2-[2-(ethylamino)ethyl]pyridazin-3-one

C10H18N4O — CID 114394588

IUPAC5-(dimethylamino)-2-[2-(ethylamino)ethyl]pyridazin-3-one
SMILESCCNCCn1ncc(N(C)C)cc1=O
InChIInChI=1S/C10H18N4O/c1-4-11-5-6-14-10(15)7-9(8-12-14)13(2)3/h7-8,11H,4-6H2,1-3H3
InChIKeyGSJCKFAXMGHBTO-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.08
Rot. Bonds5

About 5-(dimethylamino)-2-[2-(ethylamino)ethyl]pyridazin-3-one

5-(dimethylamino)-2-[2-(ethylamino)ethyl]pyridazin-3-one (PubChem CID 114394588) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is 5-(dimethylamino)-2-[2-(ethylamino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-[2-(ethylamino)ethyl]pyridazin-3-one
PubChem CID114394588
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC Name5-(dimethylamino)-2-[2-(ethylamino)ethyl]pyridazin-3-one
SMILESCCNCCn1ncc(N(C)C)cc1=O
InChIInChI=1S/C10H18N4O/c1-4-11-5-6-14-10(15)7-9(8-12-14)13(2)3/h7-8,11H,4-6H2,1-3H3
InChIKeyGSJCKFAXMGHBTO-UHFFFAOYSA-N
XLogP-0.08
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(dimethylamino)-2-[2-(2-methylpropylamino)ethyl]pyridazin-3-one
CID 114397462
5-(dimethylamino)-2-[3-(ethylamino)-2-methylpropyl]pyridazin-3-one
CID 114396794
5-(dimethylamino)-2-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]pyridazin-3-one
CID 114397467
2-[2-(tert-butylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394839
2-(3-aminopropyl)-5-(dimethylamino)pyridazin-3-one
CID 114393687
5-(dimethylamino)-2-[2-(3-fluoroanilino)ethyl]pyridazin-3-one
CID 114397466
5-(dimethylamino)-2-[2-(oxan-4-ylamino)ethyl]pyridazin-3-one
CID 114397471
5-(dimethylamino)-2-(3,3,4,4,4-pentafluorobutyl)pyridazin-3-one
CID 28871573
5-(diethylamino)-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 114397680
2-[2-(ethylamino)ethyl]-5-morpholin-4-ylpyridazin-3-one
CID 114394647
5-(dimethylamino)-2-[2-(ethylamino)-3-methoxypropyl]pyridazin-3-one
CID 107506433
2-[2-(4-ethoxybutylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114397656

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-[2-(ethylamino)ethyl]pyridazin-3-one?
The IUPAC name of 5-(dimethylamino)-2-[2-(ethylamino)ethyl]pyridazin-3-one (CID 114394588) is 5-(dimethylamino)-2-[2-(ethylamino)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-[2-(ethylamino)ethyl]pyridazin-3-one?
The canonical SMILES for 5-(dimethylamino)-2-[2-(ethylamino)ethyl]pyridazin-3-one is CCNCCn1ncc(N(C)C)cc1=O.
What is the InChIKey of 5-(dimethylamino)-2-[2-(ethylamino)ethyl]pyridazin-3-one?
The InChIKey is GSJCKFAXMGHBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-4-11-5-6-14-10(15)7-9(8-12-14)13(2)3/h7-8,11H,4-6H2,1-3H3.
What are the key properties of 5-(dimethylamino)-2-[2-(ethylamino)ethyl]pyridazin-3-one?
5-(dimethylamino)-2-[2-(ethylamino)ethyl]pyridazin-3-one has a molecular weight of 210.28 g/mol, XLogP of -0.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-[2-(ethylamino)ethyl]pyridazin-3-one is sourced from PubChem (CID 114394588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).