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

C10H17N3O3 — CID 103218471

IUPAC2-[2-(2-methoxyethoxy)ethyl]-5-(methylamino)pyridazin-3-one
SMILESCNc1cnn(CCOCCOC)c(=O)c1
InChIInChI=1S/C10H17N3O3/c1-11-9-7-10(14)13(12-8-9)3-4-16-6-5-15-2/h7-8,11H,3-6H2,1-2H3
InChIKeyXUOJCCWMHRYICP-UHFFFAOYSA-N
MW227.26 g/mol
LogP-0.05
Rot. Bonds7

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

2-[2-(2-methoxyethoxy)ethyl]-5-(methylamino)pyridazin-3-one (PubChem CID 103218471) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethyl]-5-(methylamino)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethyl]-5-(methylamino)pyridazin-3-one
PubChem CID103218471
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name2-[2-(2-methoxyethoxy)ethyl]-5-(methylamino)pyridazin-3-one
SMILESCNc1cnn(CCOCCOC)c(=O)c1
InChIInChI=1S/C10H17N3O3/c1-11-9-7-10(14)13(12-8-9)3-4-16-6-5-15-2/h7-8,11H,3-6H2,1-2H3
InChIKeyXUOJCCWMHRYICP-UHFFFAOYSA-N
XLogP-0.05
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103219178
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-[3-(2,2,2-trifluoroethoxy)propyl]pyridazin-3-one
CID 103220334
5-(Propylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103220359
5-(2-Aminoethylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103221290
5-(2-Methylpropylamino)-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103221711
5-[2-Aminoethyl(methyl)amino]-2-[2-(2,2,2-trifluoroethoxy)ethyl]pyridazin-3-one
CID 103223513
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-[2-Methoxyethyl(methyl)amino]-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 114397569

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-5-(methylamino)pyridazin-3-one?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-5-(methylamino)pyridazin-3-one (CID 103218471) is 2-[2-(2-methoxyethoxy)ethyl]-5-(methylamino)pyridazin-3-one.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethyl]-5-(methylamino)pyridazin-3-one?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethyl]-5-(methylamino)pyridazin-3-one is CNc1cnn(CCOCCOC)c(=O)c1.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethyl]-5-(methylamino)pyridazin-3-one?
The InChIKey is XUOJCCWMHRYICP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-11-9-7-10(14)13(12-8-9)3-4-16-6-5-15-2/h7-8,11H,3-6H2,1-2H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethyl]-5-(methylamino)pyridazin-3-one?
2-[2-(2-methoxyethoxy)ethyl]-5-(methylamino)pyridazin-3-one has a molecular weight of 227.26 g/mol, XLogP of -0.05, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethyl]-5-(methylamino)pyridazin-3-one is sourced from PubChem (CID 103218471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).