6-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide

C9H9F3N4O3 — CID 108537668

IUPAC6-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide
SMILESO=C(NCCNC(=O)C(F)(F)F)c1ccc(=O)[nH]n1
InChIInChI=1S/C9H9F3N4O3/c10-9(11,12)8(19)14-4-3-13-7(18)5-1-2-6(17)16-15-5/h1-2H,3-4H2,(H,13,18)(H,14,19)(H,16,17)
InChIKeyDEHXIDJZMUEQGN-UHFFFAOYSA-N
MW278.19 g/mol
LogP-0.82
Rot. Bonds4

About 6-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide

6-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide (PubChem CID 108537668) has the molecular formula C9H9F3N4O3 and a molecular weight of 278.19 g/mol. Its IUPAC name is 6-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide
PubChem CID108537668
Molecular FormulaC9H9F3N4O3
Molecular Weight278.19 g/mol
Exact Mass278.06
IUPAC Name6-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide
SMILESO=C(NCCNC(=O)C(F)(F)F)c1ccc(=O)[nH]n1
InChIInChI=1S/C9H9F3N4O3/c10-9(11,12)8(19)14-4-3-13-7(18)5-1-2-6(17)16-15-5/h1-2H,3-4H2,(H,13,18)(H,14,19)(H,16,17)
InChIKeyDEHXIDJZMUEQGN-UHFFFAOYSA-N
XLogP-0.82
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 6-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide (CID 108537668) is 6-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide is O=C(NCCNC(=O)C(F)(F)F)c1ccc(=O)[nH]n1.
What is the InChIKey of 6-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide?
The InChIKey is DEHXIDJZMUEQGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4O3/c10-9(11,12)8(19)14-4-3-13-7(18)5-1-2-6(17)16-15-5/h1-2H,3-4H2,(H,13,18)(H,14,19)(H,16,17).
What are the key properties of 6-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide?
6-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide has a molecular weight of 278.19 g/mol, XLogP of -0.82, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 108537668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).