N-(2-methoxyethyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide

C12H18N4O3 — CID 55169502

IUPACN-(2-methoxyethyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide
SMILESCOCCNC(=O)Cn1nc2c(cc1=O)CNCC2
InChIInChI=1S/C12H18N4O3/c1-19-5-4-14-11(17)8-16-12(18)6-9-7-13-3-2-10(9)15-16/h6,13H,2-5,7-8H2,1H3,(H,14,17)
InChIKeyWWGKPYLPWLWXGO-UHFFFAOYSA-N
MW266.30 g/mol
LogP-1.35
Rot. Bonds5

About N-(2-methoxyethyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide

N-(2-methoxyethyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide (PubChem CID 55169502) has the molecular formula C12H18N4O3 and a molecular weight of 266.30 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide
PubChem CID55169502
Molecular FormulaC12H18N4O3
Molecular Weight266.30 g/mol
Exact Mass266.14
IUPAC NameN-(2-methoxyethyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide
SMILESCOCCNC(=O)Cn1nc2c(cc1=O)CNCC2
InChIInChI=1S/C12H18N4O3/c1-19-5-4-14-11(17)8-16-12(18)6-9-7-13-3-2-10(9)15-16/h6,13H,2-5,7-8H2,1H3,(H,14,17)
InChIKeyWWGKPYLPWLWXGO-UHFFFAOYSA-N
XLogP-1.35
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
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 N-(2-methoxyethyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide (CID 55169502) is N-(2-methoxyethyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide is COCCNC(=O)Cn1nc2c(cc1=O)CNCC2.
What is the InChIKey of N-(2-methoxyethyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide?
The InChIKey is WWGKPYLPWLWXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O3/c1-19-5-4-14-11(17)8-16-12(18)6-9-7-13-3-2-10(9)15-16/h6,13H,2-5,7-8H2,1H3,(H,14,17).
What are the key properties of N-(2-methoxyethyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide?
N-(2-methoxyethyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide has a molecular weight of 266.30 g/mol, XLogP of -1.35, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-(3-oxo-5,6,7,8-tetrahydropyrido[4,3-c]pyridazin-2-yl)acetamide is sourced from PubChem (CID 55169502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).