6-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridazine-3-carboxamide

C12H8F3N3O3 — CID 7185957

IUPAC6-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(=O)[nH]n1
InChIInChI=1S/C12H8F3N3O3/c13-12(14,15)21-8-3-1-7(2-4-8)16-11(20)9-5-6-10(19)18-17-9/h1-6H,(H,16,20)(H,18,19)
InChIKeyCUDPXRZRSJCLST-UHFFFAOYSA-N
MW299.21 g/mol
LogP1.92
Rot. Bonds3

About 6-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridazine-3-carboxamide

6-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridazine-3-carboxamide (PubChem CID 7185957) has the molecular formula C12H8F3N3O3 and a molecular weight of 299.21 g/mol. Its IUPAC name is 6-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridazine-3-carboxamide
PubChem CID7185957
Molecular FormulaC12H8F3N3O3
Molecular Weight299.21 g/mol
Exact Mass299.05
IUPAC Name6-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(=O)[nH]n1
InChIInChI=1S/C12H8F3N3O3/c13-12(14,15)21-8-3-1-7(2-4-8)16-11(20)9-5-6-10(19)18-17-9/h1-6H,(H,16,20)(H,18,19)
InChIKeyCUDPXRZRSJCLST-UHFFFAOYSA-N
XLogP1.92
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.21
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-oxo-N-[4-(trifluoromethoxy)phenyl]-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

methyl 4-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzoate
CID 7185953
N-(3,5-difluorophenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 103605944
N-[4-(trifluoromethoxy)phenyl]-1H-pyrazole-5-carboxamide
CID 723660
5-[(6-oxo-1H-pyridazine-3-carbonyl)amino]benzene-1,3-dicarboxylic acid
CID 108793532
N-[4-(2-bromoethyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 114040990
N-[4-(trifluoromethoxy)phenyl]pyridazine-3-carboxamide
CID 23633023
N-[4-(trifluoromethoxy)phenyl]carbamoyl chloride
CID 22420988
6-amino-N-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxamide
CID 62239251
N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308
N-(4-chloro-3-hydroxyphenyl)-6-oxo-1H-pyridazine-3-carboxamide
CID 114040849
2,6-dichloro-N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 26289080
3-[[4-(trifluoromethoxy)phenyl]carbamoyl]pyrazine-2-carboxylic acid
CID 23633123

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridazine-3-carboxamide?
The IUPAC name of 6-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridazine-3-carboxamide (CID 7185957) is 6-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridazine-3-carboxamide.
What is the SMILES notation for 6-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridazine-3-carboxamide?
The canonical SMILES for 6-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridazine-3-carboxamide is O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(=O)[nH]n1.
What is the InChIKey of 6-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridazine-3-carboxamide?
The InChIKey is CUDPXRZRSJCLST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3O3/c13-12(14,15)21-8-3-1-7(2-4-8)16-11(20)9-5-6-10(19)18-17-9/h1-6H,(H,16,20)(H,18,19).
What are the key properties of 6-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridazine-3-carboxamide?
6-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridazine-3-carboxamide has a molecular weight of 299.21 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N-[4-(trifluoromethoxy)phenyl]-1H-pyridazine-3-carboxamide is sourced from PubChem (CID 7185957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).