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

C13H10F3N3O2 — CID 90509411

IUPAC6-methoxy-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C13H10F3N3O2/c1-21-11-7-6-10(18-19-11)12(20)17-9-5-3-2-4-8(9)13(14,15)16/h2-7H,1H3,(H,17,20)
InChIKeyBUOMMDBEXRVCJR-UHFFFAOYSA-N
MW297.24 g/mol
LogP2.76
Rot. Bonds3

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

6-methoxy-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (PubChem CID 90509411) has the molecular formula C13H10F3N3O2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 6-methoxy-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-methoxy-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
PubChem CID90509411
Molecular FormulaC13H10F3N3O2
Molecular Weight297.24 g/mol
Exact Mass297.07
IUPAC Name6-methoxy-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCOc1ccc(C(=O)Nc2ccccc2C(F)(F)F)nn1
InChIInChI=1S/C13H10F3N3O2/c1-21-11-7-6-10(18-19-11)12(20)17-9-5-3-2-4-8(9)13(14,15)16/h2-7H,1H3,(H,17,20)
InChIKeyBUOMMDBEXRVCJR-UHFFFAOYSA-N
XLogP2.76
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-propan-2-yl-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 113200454
6-methoxy-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 84580545
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-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109199921
N-[2-(trifluoromethyl)phenyl]carbamoyl chloride
CID 84820766
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
5-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109197685
methyl 2-[[2-(trifluoromethyl)phenyl]carbamoyl]benzoate
CID 108785392
5-(2-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 15988743

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 6-methoxy-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (CID 90509411) is 6-methoxy-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-methoxy-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-methoxy-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is COc1ccc(C(=O)Nc2ccccc2C(F)(F)F)nn1.
What is the InChIKey of 6-methoxy-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is BUOMMDBEXRVCJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O2/c1-21-11-7-6-10(18-19-11)12(20)17-9-5-3-2-4-8(9)13(14,15)16/h2-7H,1H3,(H,17,20).
What are the key properties of 6-methoxy-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
6-methoxy-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 297.24 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 90509411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).