6-propan-2-yl-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

C15H14F3N3O — CID 113200454

IUPAC6-propan-2-yl-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCC(C)c1ccc(C(=O)Nc2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C15H14F3N3O/c1-9(2)11-7-8-13(21-20-11)14(22)19-12-6-4-3-5-10(12)15(16,17)18/h3-9H,1-2H3,(H,19,22)
InChIKeyVXJHCJWBSDONBK-UHFFFAOYSA-N
MW309.29 g/mol
LogP3.87
Rot. Bonds3

About 6-propan-2-yl-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

6-propan-2-yl-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (PubChem CID 113200454) has the molecular formula C15H14F3N3O and a molecular weight of 309.29 g/mol. Its IUPAC name is 6-propan-2-yl-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-propan-2-yl-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
PubChem CID113200454
Molecular FormulaC15H14F3N3O
Molecular Weight309.29 g/mol
Exact Mass309.11
IUPAC Name6-propan-2-yl-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCC(C)c1ccc(C(=O)Nc2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C15H14F3N3O/c1-9(2)11-7-8-13(21-20-11)14(22)19-12-6-4-3-5-10(12)15(16,17)18/h3-9H,1-2H3,(H,19,22)
InChIKeyVXJHCJWBSDONBK-UHFFFAOYSA-N
XLogP3.87
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.29
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-methoxy-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 90509411
6-(tert-butylamino)-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109124777
6-(3-methoxypropylamino)-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109114208
5-amino-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 81319297
N-[2-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 127043003
1-methyl-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 42161810
2-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 110691495
5-hydrazinyl-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 104642157
6-methyl-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 110860737
1-(4-chlorophenyl)-5-propan-2-yl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 16652149
N-(4-phenoxyphenyl)-6-propan-2-ylpyridazine-3-carboxamide
CID 113200474
5-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109197685

Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-propan-2-yl-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (CID 113200454) is 6-propan-2-yl-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-propan-2-yl-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-propan-2-yl-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is CC(C)c1ccc(C(=O)Nc2ccccc2C(F)(F)F)nn1.
What is the InChIKey of 6-propan-2-yl-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is VXJHCJWBSDONBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3N3O/c1-9(2)11-7-8-13(21-20-11)14(22)19-12-6-4-3-5-10(12)15(16,17)18/h3-9H,1-2H3,(H,19,22).
What are the key properties of 6-propan-2-yl-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
6-propan-2-yl-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 309.29 g/mol, XLogP of 3.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 113200454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).