1-(2-methoxyethyl)-6-oxo-N-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide

C10H12F3N3O4 — CID 81341176

IUPAC1-(2-methoxyethyl)-6-oxo-N-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)NOCC(F)(F)F)ccc1=O
InChIInChI=1S/C10H12F3N3O4/c1-19-5-4-16-8(17)3-2-7(14-16)9(18)15-20-6-10(11,12)13/h2-3H,4-6H2,1H3,(H,15,18)
InChIKeyLAWMUMSFOVSJMG-UHFFFAOYSA-N
MW295.22 g/mol
LogP0.11
Rot. Bonds6

About 1-(2-methoxyethyl)-6-oxo-N-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide

1-(2-methoxyethyl)-6-oxo-N-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide (PubChem CID 81341176) has the molecular formula C10H12F3N3O4 and a molecular weight of 295.22 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-6-oxo-N-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-(2-methoxyethyl)-6-oxo-N-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide
PubChem CID81341176
Molecular FormulaC10H12F3N3O4
Molecular Weight295.22 g/mol
Exact Mass295.08
IUPAC Name1-(2-methoxyethyl)-6-oxo-N-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide
SMILESCOCCn1nc(C(=O)NOCC(F)(F)F)ccc1=O
InChIInChI=1S/C10H12F3N3O4/c1-19-5-4-16-8(17)3-2-7(14-16)9(18)15-20-6-10(11,12)13/h2-3H,4-6H2,1H3,(H,15,18)
InChIKeyLAWMUMSFOVSJMG-UHFFFAOYSA-N
XLogP0.11
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.22
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-6-oxo-N-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide?
The IUPAC name of 1-(2-methoxyethyl)-6-oxo-N-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide (CID 81341176) is 1-(2-methoxyethyl)-6-oxo-N-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide.
What is the SMILES notation for 1-(2-methoxyethyl)-6-oxo-N-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide?
The canonical SMILES for 1-(2-methoxyethyl)-6-oxo-N-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide is COCCn1nc(C(=O)NOCC(F)(F)F)ccc1=O.
What is the InChIKey of 1-(2-methoxyethyl)-6-oxo-N-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide?
The InChIKey is LAWMUMSFOVSJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O4/c1-19-5-4-16-8(17)3-2-7(14-16)9(18)15-20-6-10(11,12)13/h2-3H,4-6H2,1H3,(H,15,18).
What are the key properties of 1-(2-methoxyethyl)-6-oxo-N-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide?
1-(2-methoxyethyl)-6-oxo-N-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide has a molecular weight of 295.22 g/mol, XLogP of 0.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-6-oxo-N-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide is sourced from PubChem (CID 81341176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).