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

C12H22N4O — CID 114396794

IUPAC5-(dimethylamino)-2-[3-(ethylamino)-2-methylpropyl]pyridazin-3-one
SMILESCCNCC(C)Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C12H22N4O/c1-5-13-7-10(2)9-16-12(17)6-11(8-14-16)15(3)4/h6,8,10,13H,5,7,9H2,1-4H3
InChIKeyLCAMNAYFTJDVEI-UHFFFAOYSA-N
MW238.33 g/mol
LogP0.55
Rot. Bonds6

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

5-(dimethylamino)-2-[3-(ethylamino)-2-methylpropyl]pyridazin-3-one (PubChem CID 114396794) has the molecular formula C12H22N4O and a molecular weight of 238.33 g/mol. Its IUPAC name is 5-(dimethylamino)-2-[3-(ethylamino)-2-methylpropyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(dimethylamino)-2-[3-(ethylamino)-2-methylpropyl]pyridazin-3-one
PubChem CID114396794
Molecular FormulaC12H22N4O
Molecular Weight238.33 g/mol
Exact Mass238.18
IUPAC Name5-(dimethylamino)-2-[3-(ethylamino)-2-methylpropyl]pyridazin-3-one
SMILESCCNCC(C)Cn1ncc(N(C)C)cc1=O
InChIInChI=1S/C12H22N4O/c1-5-13-7-10(2)9-16-12(17)6-11(8-14-16)15(3)4/h6,8,10,13H,5,7,9H2,1-4H3
InChIKeyLCAMNAYFTJDVEI-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

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Related Compounds

2-(3-chloro-2-methylpropyl)-5-(dimethylamino)pyridazin-3-one
CID 114394227
5-(dimethylamino)-2-[2-(ethylamino)ethyl]pyridazin-3-one
CID 114394588
5-(dimethylamino)-2-[(2S)-2-hydroxypropyl]pyridazin-3-one
CID 104920967
5-(dimethylamino)-2-[2-(ethylamino)-3-methoxypropyl]pyridazin-3-one
CID 107506433
5-(dimethylamino)-2-[2-(2-methylpropylamino)ethyl]pyridazin-3-one
CID 114397462
5-[ethyl(methyl)amino]-2-(2-methyl-3-sulfanylpropyl)pyridazin-3-one
CID 114399054
2-(3-chloro-2-methylpropyl)-5-[methyl(propyl)amino]pyridazin-3-one
CID 114394404
2-(3-amino-2-hydroxypropyl)-5-(dimethylamino)pyridazin-3-one
CID 114395440
2-(3-bromo-2-methylpropyl)-5-(diethylamino)pyridazin-3-one
CID 114394374
2-[2-(ethylamino)-3-methylpentyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394815
2-(2-cyclopropyl-2-hydroxyethyl)-5-(dimethylamino)pyridazin-3-one
CID 114397069
3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]-2-methylpropanenitrile
CID 114395697

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-2-[3-(ethylamino)-2-methylpropyl]pyridazin-3-one?
The IUPAC name of 5-(dimethylamino)-2-[3-(ethylamino)-2-methylpropyl]pyridazin-3-one (CID 114396794) is 5-(dimethylamino)-2-[3-(ethylamino)-2-methylpropyl]pyridazin-3-one.
What is the SMILES notation for 5-(dimethylamino)-2-[3-(ethylamino)-2-methylpropyl]pyridazin-3-one?
The canonical SMILES for 5-(dimethylamino)-2-[3-(ethylamino)-2-methylpropyl]pyridazin-3-one is CCNCC(C)Cn1ncc(N(C)C)cc1=O.
What is the InChIKey of 5-(dimethylamino)-2-[3-(ethylamino)-2-methylpropyl]pyridazin-3-one?
The InChIKey is LCAMNAYFTJDVEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N4O/c1-5-13-7-10(2)9-16-12(17)6-11(8-14-16)15(3)4/h6,8,10,13H,5,7,9H2,1-4H3.
What are the key properties of 5-(dimethylamino)-2-[3-(ethylamino)-2-methylpropyl]pyridazin-3-one?
5-(dimethylamino)-2-[3-(ethylamino)-2-methylpropyl]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-[3-(ethylamino)-2-methylpropyl]pyridazin-3-one is sourced from PubChem (CID 114396794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).