2-[2-(tert-butylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one

C13H24N4O — CID 114394839

IUPAC2-[2-(tert-butylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
SMILESCCN(C)c1cnn(CCNC(C)(C)C)c(=O)c1
InChIInChI=1S/C13H24N4O/c1-6-16(5)11-9-12(18)17(15-10-11)8-7-14-13(2,3)4/h9-10,14H,6-8H2,1-5H3
InChIKeyISVWWLRYTSOWOC-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.09
Rot. Bonds5

About 2-[2-(tert-butylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one

2-[2-(tert-butylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one (PubChem CID 114394839) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is 2-[2-(tert-butylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(tert-butylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
PubChem CID114394839
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC Name2-[2-(tert-butylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
SMILESCCN(C)c1cnn(CCNC(C)(C)C)c(=O)c1
InChIInChI=1S/C13H24N4O/c1-6-16(5)11-9-12(18)17(15-10-11)8-7-14-13(2,3)4/h9-10,14H,6-8H2,1-5H3
InChIKeyISVWWLRYTSOWOC-UHFFFAOYSA-N
XLogP1.09
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[ethyl(methyl)amino]-2-(4-hydroxybutyl)pyridazin-3-one
CID 114396533
2-(4-bromobutyl)-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394326
5-(dimethylamino)-2-[2-(ethylamino)ethyl]pyridazin-3-one
CID 114394588
2-[2-(4-ethoxybutylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114397656
2-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]acetamide
CID 114397031
3-[4-[ethyl(methyl)amino]-6-oxopyridazin-1-yl]propanethioamide
CID 114395814
5-[ethyl(methyl)amino]-2-(4-oxopentyl)pyridazin-3-one
CID 114396211
2-[2-[(5-chlorothiophen-2-yl)methylamino]ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114397633
2-[5-(ethylamino)hexyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114394811
2-[2-[(tert-butylamino)methyl]prop-2-enyl]-5-[methyl(propyl)amino]pyridazin-3-one
CID 103073093
2-[2-(2-aminophenyl)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114393582
2-[[2-(ethylamino)-3-pyridinyl]methyl]-5-[ethyl(methyl)amino]pyridazin-3-one
CID 114397276

Frequently Asked Questions

What is the IUPAC name of 2-[2-(tert-butylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
The IUPAC name of 2-[2-(tert-butylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one (CID 114394839) is 2-[2-(tert-butylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one.
What is the SMILES notation for 2-[2-(tert-butylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
The canonical SMILES for 2-[2-(tert-butylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one is CCN(C)c1cnn(CCNC(C)(C)C)c(=O)c1.
What is the InChIKey of 2-[2-(tert-butylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
The InChIKey is ISVWWLRYTSOWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-6-16(5)11-9-12(18)17(15-10-11)8-7-14-13(2,3)4/h9-10,14H,6-8H2,1-5H3.
What are the key properties of 2-[2-(tert-butylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one?
2-[2-(tert-butylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one has a molecular weight of 252.36 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(tert-butylamino)ethyl]-5-[ethyl(methyl)amino]pyridazin-3-one is sourced from PubChem (CID 114394839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).