2-[2-(ethylamino)butyl]-5-methylpyridazin-3-one

C11H19N3O — CID 106548522

IUPAC2-[2-(ethylamino)butyl]-5-methylpyridazin-3-one
SMILESCCNC(CC)Cn1ncc(C)cc1=O
InChIInChI=1S/C11H19N3O/c1-4-10(12-5-2)8-14-11(15)6-9(3)7-13-14/h6-7,10,12H,4-5,8H2,1-3H3
InChIKeyGOODAQXXDCLLIS-UHFFFAOYSA-N
MW209.29 g/mol
LogP0.94
Rot. Bonds5

About 2-[2-(ethylamino)butyl]-5-methylpyridazin-3-one

2-[2-(ethylamino)butyl]-5-methylpyridazin-3-one (PubChem CID 106548522) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-[2-(ethylamino)butyl]-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-(ethylamino)butyl]-5-methylpyridazin-3-one
PubChem CID106548522
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-[2-(ethylamino)butyl]-5-methylpyridazin-3-one
SMILESCCNC(CC)Cn1ncc(C)cc1=O
InChIInChI=1S/C11H19N3O/c1-4-10(12-5-2)8-14-11(15)6-9(3)7-13-14/h6-7,10,12H,4-5,8H2,1-3H3
InChIKeyGOODAQXXDCLLIS-UHFFFAOYSA-N
XLogP0.94
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-Amino-1,1,1-trifluoropropan-2-yl)-5-methylpyridazin-3-one
CID 106548281
5-Methyl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 106549116
4-methyl-2-[(3R)-piperidin-3-yl]pyridazin-3-one
CID 166162665
4-Methyl-2-piperidin-3-ylpyridazin-3-one
CID 166162695
Ethane;5-methyl-2-propan-2-ylpyridazin-3-one
CID 169135485
6-oxo-N-propan-2-yl-1H-pyridazine-4-carboxamide
CID 170237311
2-Cyclobutyl-5-methylpyridazin-3-one;propane
CID 171811526
2-[2-(Heptan-2-ylamino)ethyl]pyridazin-3-one
CID 55126826
2-[3,3-Dimethyl-2-(methylamino)butyl]pyridazin-3-one
CID 62848545
2-[2-(1-Cyclopropylethylamino)ethyl]pyridazin-3-one
CID 62848570
2-[2-(Butylamino)ethyl]pyridazin-3-one
CID 62848573
2-[3-(Propylamino)butyl]pyridazin-3-one
CID 62848727

Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethylamino)butyl]-5-methylpyridazin-3-one?
The IUPAC name of 2-[2-(ethylamino)butyl]-5-methylpyridazin-3-one (CID 106548522) is 2-[2-(ethylamino)butyl]-5-methylpyridazin-3-one.
What is the SMILES notation for 2-[2-(ethylamino)butyl]-5-methylpyridazin-3-one?
The canonical SMILES for 2-[2-(ethylamino)butyl]-5-methylpyridazin-3-one is CCNC(CC)Cn1ncc(C)cc1=O.
What is the InChIKey of 2-[2-(ethylamino)butyl]-5-methylpyridazin-3-one?
The InChIKey is GOODAQXXDCLLIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-10(12-5-2)8-14-11(15)6-9(3)7-13-14/h6-7,10,12H,4-5,8H2,1-3H3.
What are the key properties of 2-[2-(ethylamino)butyl]-5-methylpyridazin-3-one?
2-[2-(ethylamino)butyl]-5-methylpyridazin-3-one has a molecular weight of 209.29 g/mol, XLogP of 0.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethylamino)butyl]-5-methylpyridazin-3-one is sourced from PubChem (CID 106548522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).