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

C12H22N4O — CID 114397462

IUPAC5-(dimethylamino)-2-[2-(2-methylpropylamino)ethyl]pyridazin-3-one
SMILESCC(C)CNCCn1ncc(N(C)C)cc1=O
InChIInChI=1S/C12H22N4O/c1-10(2)8-13-5-6-16-12(17)7-11(9-14-16)15(3)4/h7,9-10,13H,5-6,8H2,1-4H3
InChIKeyQYXSCXUKOGFSTK-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.55
Rot. Bonds6

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

5-(dimethylamino)-2-[2-(2-methylpropylamino)ethyl]pyridazin-3-one (PubChem CID 114397462) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-(dimethylamino)-2-[2-(2-methylpropylamino)ethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-[2-(2-methylpropylamino)ethyl]pyridazin-3-one
PubChem CID114397462
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name5-(dimethylamino)-2-[2-(2-methylpropylamino)ethyl]pyridazin-3-one
SMILESCC(C)CNCCn1ncc(N(C)C)cc1=O
InChIInChI=1S/C12H22N4O/c1-10(2)8-13-5-6-16-12(17)7-11(9-14-16)15(3)4/h7,9-10,13H,5-6,8H2,1-4H3
InChIKeyQYXSCXUKOGFSTK-UHFFFAOYSA-N
XLogP0.55
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 50.55
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-(ethylamino)ethyl]pyridazin-3-one
CID 114394588
5-(dimethylamino)-2-[2-[(3-methylthiophen-2-yl)methylamino]ethyl]pyridazin-3-one
CID 114397467
5-(dimethylamino)-2-[3-(ethylamino)-2-methylpropyl]pyridazin-3-one
CID 114396794
5-(4-methylpiperidin-1-yl)-2-[2-(2-methylpropylamino)ethyl]pyridazin-3-one
CID 114397711
2-(3-aminopropyl)-5-(dimethylamino)pyridazin-3-one
CID 114393687
5-(dimethylamino)-2-[(2S)-2-hydroxypropyl]pyridazin-3-one
CID 104920967
2-(3-chloro-2-methylpropyl)-5-(dimethylamino)pyridazin-3-one
CID 114394227
5-(dimethylamino)-2-[2-[1-(oxolan-2-yl)ethylamino]ethyl]pyridazin-3-one
CID 114397448
2-[2-(5-amino-2-oxo-1-pyridinyl)ethyl]-5-(dimethylamino)pyridazin-3-one
CID 114393487
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

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-[2-(2-methylpropylamino)ethyl]pyridazin-3-one?
The IUPAC name of 5-(dimethylamino)-2-[2-(2-methylpropylamino)ethyl]pyridazin-3-one (CID 114397462) is 5-(dimethylamino)-2-[2-(2-methylpropylamino)ethyl]pyridazin-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-[2-(2-methylpropylamino)ethyl]pyridazin-3-one?
The canonical SMILES for 5-(dimethylamino)-2-[2-(2-methylpropylamino)ethyl]pyridazin-3-one is CC(C)CNCCn1ncc(N(C)C)cc1=O.
What is the InChIKey of 5-(dimethylamino)-2-[2-(2-methylpropylamino)ethyl]pyridazin-3-one?
The InChIKey is QYXSCXUKOGFSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-10(2)8-13-5-6-16-12(17)7-11(9-14-16)15(3)4/h7,9-10,13H,5-6,8H2,1-4H3.
What are the key properties of 5-(dimethylamino)-2-[2-(2-methylpropylamino)ethyl]pyridazin-3-one?
5-(dimethylamino)-2-[2-(2-methylpropylamino)ethyl]pyridazin-3-one has a molecular weight of 238.33 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-2-[2-(2-methylpropylamino)ethyl]pyridazin-3-one is sourced from PubChem (CID 114397462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).