6-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridazine-3-carboxamide

C8H8F3N3O2 — CID 103709585

IUPAC6-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridazine-3-carboxamide
SMILESO=C(NCCC(F)(F)F)c1ccc(=O)[nH]n1
InChIInChI=1S/C8H8F3N3O2/c9-8(10,11)3-4-12-7(16)5-1-2-6(15)14-13-5/h1-2H,3-4H2,(H,12,16)(H,14,15)
InChIKeyBVQOMLWJJBYGMB-UHFFFAOYSA-N
MW235.16 g/mol
LogP0.45
Rot. Bonds3

About 6-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridazine-3-carboxamide

6-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridazine-3-carboxamide (PubChem CID 103709585) has the molecular formula C8H8F3N3O2 and a molecular weight of 235.16 g/mol. Its IUPAC name is 6-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridazine-3-carboxamide
PubChem CID103709585
Molecular FormulaC8H8F3N3O2
Molecular Weight235.16 g/mol
Exact Mass235.06
IUPAC Name6-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridazine-3-carboxamide
SMILESO=C(NCCC(F)(F)F)c1ccc(=O)[nH]n1
InChIInChI=1S/C8H8F3N3O2/c9-8(10,11)3-4-12-7(16)5-1-2-6(15)14-13-5/h1-2H,3-4H2,(H,12,16)(H,14,15)
InChIKeyBVQOMLWJJBYGMB-UHFFFAOYSA-N
XLogP0.45
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-(dimethylamino)propyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 1932907
N-isopropyl-1-methyl-6-oxo-1,6-dihydropyridazine-3-carboxamide
CID 42443181
N-[3-[methyl(2,2,2-trifluoroethyl)amino]propyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 45893393
2,2,2-trifluoro-N-[(6-oxo-1H-pyridazin-3-yl)methyl]acetamide
CID 133675039
2,2-difluoro-N-[(6-oxo-1H-pyridazin-3-yl)methyl]propanamide
CID 170266150
6-oxo-N-[2-(2,2,2-trifluoroethoxy)ethyl]-1H-pyridazine-3-carboxamide
CID 36275037
6-oxo-N-(2,2,2-trifluoroethyl)-1,6-dihydropyridazine-3-carboxamide
CID 37067126
6-oxo-1-propyl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 45794092
6-oxo-N-[2-(trifluoromethylsulfanyl)ethyl]-1H-pyridazine-3-carboxamide
CID 47038195
3-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-1H-pyridazin-6-one
CID 47143847
1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 51166533
6-oxo-N,1-dipropyl-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 53510708

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridazine-3-carboxamide (CID 103709585) is 6-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridazine-3-carboxamide is O=C(NCCC(F)(F)F)c1ccc(=O)[nH]n1.
What is the InChIKey of 6-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridazine-3-carboxamide?
The InChIKey is BVQOMLWJJBYGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O2/c9-8(10,11)3-4-12-7(16)5-1-2-6(15)14-13-5/h1-2H,3-4H2,(H,12,16)(H,14,15).
What are the key properties of 6-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridazine-3-carboxamide?
6-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridazine-3-carboxamide has a molecular weight of 235.16 g/mol, XLogP of 0.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-(3,3,3-trifluoropropyl)-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 103709585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).