2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-(methylamino)pyridazin-3-one

C12H21N3O4 — CID 103218700

IUPAC2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-(methylamino)pyridazin-3-one
SMILESCNc1cnn(CCOCCOCCOC)c(=O)c1
InChIInChI=1S/C12H21N3O4/c1-13-11-9-12(16)15(14-10-11)3-4-18-7-8-19-6-5-17-2/h9-10,13H,3-8H2,1-2H3
InChIKeyQWQKMHSPTWAOJD-UHFFFAOYSA-N
MW271.32 g/mol
LogP-0.04
Rot. Bonds10

About 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-(methylamino)pyridazin-3-one

2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-(methylamino)pyridazin-3-one (PubChem CID 103218700) has the molecular formula C12H21N3O4 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-(methylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-(methylamino)pyridazin-3-one
PubChem CID103218700
Molecular FormulaC12H21N3O4
Molecular Weight271.32 g/mol
Exact Mass271.15
IUPAC Name2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-(methylamino)pyridazin-3-one
SMILESCNc1cnn(CCOCCOCCOC)c(=O)c1
InChIInChI=1S/C12H21N3O4/c1-13-11-9-12(16)15(14-10-11)3-4-18-7-8-19-6-5-17-2/h9-10,13H,3-8H2,1-2H3
InChIKeyQWQKMHSPTWAOJD-UHFFFAOYSA-N
XLogP-0.04
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 5-0.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-Amino-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103218426
5-(Ethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103219215
5-(Propan-2-ylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103219592
5-(Propylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103220359
5-(2-Methylpropylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103221711
5-[2-(Methylamino)ethylamino]-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103223724
5-(Methylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 113789723
5-(dimethylamino)-2-(2-propoxyethyl)-3(2H)-pyridazinone
CID 28732206
4-Chloro-5-[2-(2-methoxyethoxy)ethylamino]-2-methylpyridazin-3-one
CID 47983877
2-[2-(Ethylaminomethyl)prop-2-enyl]-5-[2-methoxyethyl(methyl)amino]pyridazin-3-one
CID 103073071
5-[2-Methoxyethyl(methyl)amino]-2-[2-(methylaminomethyl)prop-2-enyl]pyridazin-3-one
CID 103073072
5-[2-Methoxyethyl(methyl)amino]-2-[2-(propylaminomethyl)prop-2-enyl]pyridazin-3-one
CID 103073073

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-(methylamino)pyridazin-3-one?
The IUPAC name of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-(methylamino)pyridazin-3-one (CID 103218700) is 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-(methylamino)pyridazin-3-one.
What is the SMILES notation for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-(methylamino)pyridazin-3-one?
The canonical SMILES for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-(methylamino)pyridazin-3-one is CNc1cnn(CCOCCOCCOC)c(=O)c1.
What is the InChIKey of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-(methylamino)pyridazin-3-one?
The InChIKey is QWQKMHSPTWAOJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O4/c1-13-11-9-12(16)15(14-10-11)3-4-18-7-8-19-6-5-17-2/h9-10,13H,3-8H2,1-2H3.
What are the key properties of 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-(methylamino)pyridazin-3-one?
2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-(methylamino)pyridazin-3-one has a molecular weight of 271.32 g/mol, XLogP of -0.04, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-5-(methylamino)pyridazin-3-one is sourced from PubChem (CID 103218700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).