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

C10H12F3N3O3 — CID 81343597

IUPAC6-oxo-1-propyl-N-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NOCC(F)(F)F)ccc1=O
InChIInChI=1S/C10H12F3N3O3/c1-2-5-16-8(17)4-3-7(14-16)9(18)15-19-6-10(11,12)13/h3-4H,2,5-6H2,1H3,(H,15,18)
InChIKeySFCCJFDJUQKSPF-UHFFFAOYSA-N
MW279.22 g/mol
LogP0.88
Rot. Bonds5

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

6-oxo-1-propyl-N-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide (PubChem CID 81343597) has the molecular formula C10H12F3N3O3 and a molecular weight of 279.22 g/mol. Its IUPAC name is 6-oxo-1-propyl-N-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-1-propyl-N-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide
PubChem CID81343597
Molecular FormulaC10H12F3N3O3
Molecular Weight279.22 g/mol
Exact Mass279.08
IUPAC Name6-oxo-1-propyl-N-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide
SMILESCCCn1nc(C(=O)NOCC(F)(F)F)ccc1=O
InChIInChI=1S/C10H12F3N3O3/c1-2-5-16-8(17)4-3-7(14-16)9(18)15-19-6-10(11,12)13/h3-4H,2,5-6H2,1H3,(H,15,18)
InChIKeySFCCJFDJUQKSPF-UHFFFAOYSA-N
XLogP0.88
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 6-oxo-1-propyl-N-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-1-propyl-N-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide (CID 81343597) is 6-oxo-1-propyl-N-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-1-propyl-N-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-1-propyl-N-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide is CCCn1nc(C(=O)NOCC(F)(F)F)ccc1=O.
What is the InChIKey of 6-oxo-1-propyl-N-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide?
The InChIKey is SFCCJFDJUQKSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O3/c1-2-5-16-8(17)4-3-7(14-16)9(18)15-19-6-10(11,12)13/h3-4H,2,5-6H2,1H3,(H,15,18).
What are the key properties of 6-oxo-1-propyl-N-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide?
6-oxo-1-propyl-N-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide has a molecular weight of 279.22 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-1-propyl-N-(2,2,2-trifluoroethoxy)pyridazine-3-carboxamide is sourced from PubChem (CID 81343597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).