6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridazine-3-carboxamide

C8H8F3N3O3 — CID 113248465

IUPAC6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridazine-3-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)c1ccc(=O)[nH]n1
InChIInChI=1S/C8H8F3N3O3/c9-8(10,11)5(15)3-12-7(17)4-1-2-6(16)14-13-4/h1-2,5,15H,3H2,(H,12,17)(H,14,16)
InChIKeyIMVFKKALKBKFLS-UHFFFAOYSA-N
MW251.16 g/mol
LogP-0.58
Rot. Bonds3

About 6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridazine-3-carboxamide

6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridazine-3-carboxamide (PubChem CID 113248465) has the molecular formula C8H8F3N3O3 and a molecular weight of 251.16 g/mol. Its IUPAC name is 6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridazine-3-carboxamide
PubChem CID113248465
Molecular FormulaC8H8F3N3O3
Molecular Weight251.16 g/mol
Exact Mass251.05
IUPAC Name6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridazine-3-carboxamide
SMILESO=C(NCC(O)C(F)(F)F)c1ccc(=O)[nH]n1
InChIInChI=1S/C8H8F3N3O3/c9-8(10,11)5(15)3-12-7(17)4-1-2-6(16)14-13-4/h1-2,5,15H,3H2,(H,12,17)(H,14,16)
InChIKeyIMVFKKALKBKFLS-UHFFFAOYSA-N
XLogP-0.58
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.16
LogP ≤ 5-0.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridazine-3-carboxamide (CID 113248465) is 6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridazine-3-carboxamide is O=C(NCC(O)C(F)(F)F)c1ccc(=O)[nH]n1.
What is the InChIKey of 6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridazine-3-carboxamide?
The InChIKey is IMVFKKALKBKFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O3/c9-8(10,11)5(15)3-12-7(17)4-1-2-6(16)14-13-4/h1-2,5,15H,3H2,(H,12,17)(H,14,16).
What are the key properties of 6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridazine-3-carboxamide?
6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridazine-3-carboxamide has a molecular weight of 251.16 g/mol, XLogP of -0.58, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(3,3,3-trifluoro-2-hydroxypropyl)-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 113248465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).