2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one

C12H19N3O3 — CID 103217939

IUPAC2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one
SMILESCOCCOCCn1nc2c(cc1=O)NCCC2
InChIInChI=1S/C12H19N3O3/c1-17-7-8-18-6-5-15-12(16)9-11-10(14-15)3-2-4-13-11/h9,13H,2-8H2,1H3
InChIKeyHGDZLFRQYJUUAO-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.26
Rot. Bonds6

About 2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one

2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one (PubChem CID 103217939) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one
PubChem CID103217939
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one
SMILESCOCCOCCn1nc2c(cc1=O)NCCC2
InChIInChI=1S/C12H19N3O3/c1-17-7-8-18-6-5-15-12(16)9-11-10(14-15)3-2-4-13-11/h9,13H,2-8H2,1H3
InChIKeyHGDZLFRQYJUUAO-UHFFFAOYSA-N
XLogP0.26
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.26
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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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one (CID 103217939) is 2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one is COCCOCCn1nc2c(cc1=O)NCCC2.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one?
The InChIKey is HGDZLFRQYJUUAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-17-7-8-18-6-5-15-12(16)9-11-10(14-15)3-2-4-13-11/h9,13H,2-8H2,1H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one?
2-[2-(2-methoxyethoxy)ethyl]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one has a molecular weight of 253.30 g/mol, XLogP of 0.26, 6 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]-5,6,7,8-tetrahydropyrido[3,2-c]pyridazin-3-one is sourced from PubChem (CID 103217939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).