5-(2-aminoethoxy)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one

C13H21N5O3 — CID 103222683

IUPAC5-(2-aminoethoxy)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one
SMILESCN1CCN(C(=O)Cn2ncc(OCCN)cc2=O)CC1
InChIInChI=1S/C13H21N5O3/c1-16-3-5-17(6-4-16)13(20)10-18-12(19)8-11(9-15-18)21-7-2-14/h8-9H,2-7,10,14H2,1H3
InChIKeyWIFOGPYMNZUDRH-UHFFFAOYSA-N
MW295.34 g/mol
LogP-1.65
Rot. Bonds5

About 5-(2-aminoethoxy)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one

5-(2-aminoethoxy)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one (PubChem CID 103222683) has the molecular formula C13H21N5O3 and a molecular weight of 295.34 g/mol. Its IUPAC name is 5-(2-aminoethoxy)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one.

Molecular Properties

Compound Name5-(2-aminoethoxy)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one
PubChem CID103222683
Molecular FormulaC13H21N5O3
Molecular Weight295.34 g/mol
Exact Mass295.16
IUPAC Name5-(2-aminoethoxy)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one
SMILESCN1CCN(C(=O)Cn2ncc(OCCN)cc2=O)CC1
InChIInChI=1S/C13H21N5O3/c1-16-3-5-17(6-4-16)13(20)10-18-12(19)8-11(9-15-18)21-7-2-14/h8-9H,2-7,10,14H2,1H3
InChIKeyWIFOGPYMNZUDRH-UHFFFAOYSA-N
XLogP-1.65
TPSA93.69 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 5-1.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103222825
2-[4-(2-aminopropoxy)-6-oxopyridazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 103223046
5-(Methylamino)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
CID 103218556
5-(Ethylamino)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
CID 103218977
2-(2-Morpholin-4-yl-2-oxoethyl)-5-(propan-2-ylamino)pyridazin-3-one
CID 103219416
2-(2-Morpholin-4-yl-2-oxoethyl)-5-(propylamino)pyridazin-3-one
CID 103220172
5-(2-Aminoethylamino)-2-(2-morpholin-4-yl-2-oxoethyl)pyridazin-3-one
CID 103221098
2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N,N-diethylacetamide
CID 103222647
2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-(2-cyanoethyl)acetamide
CID 103222649
5-(2-Aminoethoxy)-2-(2-morpholin-4-ylethyl)pyridazin-3-one
CID 103222654
2-[4-(2-aminoethoxy)-6-oxopyridazin-1-yl]-N-ethyl-N-methylacetamide
CID 103222655
2-[4-(2-Aminoethoxy)-6-oxopyridazin-1-yl]propanamide
CID 103222665

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethoxy)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one?
The IUPAC name of 5-(2-aminoethoxy)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one (CID 103222683) is 5-(2-aminoethoxy)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one.
What is the SMILES notation for 5-(2-aminoethoxy)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one?
The canonical SMILES for 5-(2-aminoethoxy)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one is CN1CCN(C(=O)Cn2ncc(OCCN)cc2=O)CC1.
What is the InChIKey of 5-(2-aminoethoxy)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one?
The InChIKey is WIFOGPYMNZUDRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O3/c1-16-3-5-17(6-4-16)13(20)10-18-12(19)8-11(9-15-18)21-7-2-14/h8-9H,2-7,10,14H2,1H3.
What are the key properties of 5-(2-aminoethoxy)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one?
5-(2-aminoethoxy)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one has a molecular weight of 295.34 g/mol, XLogP of -1.65, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethoxy)-2-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]pyridazin-3-one is sourced from PubChem (CID 103222683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).