1-methyl-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

C13H10F3N3O2 — CID 42161810

IUPAC1-methyl-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccccc2C(F)(F)F)ccc1=O
InChIInChI=1S/C13H10F3N3O2/c1-19-11(20)7-6-10(18-19)12(21)17-9-5-3-2-4-8(9)13(14,15)16/h2-7H,1H3,(H,17,21)
InChIKeySXZRLXFBBNWORP-UHFFFAOYSA-N
MW297.24 g/mol
LogP2.05
Rot. Bonds2

About 1-methyl-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide

1-methyl-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (PubChem CID 42161810) has the molecular formula C13H10F3N3O2 and a molecular weight of 297.24 g/mol. Its IUPAC name is 1-methyl-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name1-methyl-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
PubChem CID42161810
Molecular FormulaC13H10F3N3O2
Molecular Weight297.24 g/mol
Exact Mass297.07
IUPAC Name1-methyl-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
SMILESCn1nc(C(=O)Nc2ccccc2C(F)(F)F)ccc1=O
InChIInChI=1S/C13H10F3N3O2/c1-19-11(20)7-6-10(18-19)12(21)17-9-5-3-2-4-8(9)13(14,15)16/h2-7H,1H3,(H,17,21)
InChIKeySXZRLXFBBNWORP-UHFFFAOYSA-N
XLogP2.05
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.24
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-6-oxo-N-[2-(trifluoromethyl)phenyl]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

2-methyl-N-[2-(trifluoromethyl)phenyl]triazole-4-carboxamide
CID 110691495
1-methyl-5-(4-methylphenyl)-N-[2-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 110299441
1-methyl-6-oxo-N-[2-(propylcarbamoyl)phenyl]pyridazine-3-carboxamide
CID 9465629
1-methyl-6-oxo-N-(2-phenylsulfanylphenyl)pyridazine-3-carboxamide
CID 51316560
3-methyl-4-oxo-N-[2-(trifluoromethyl)phenyl]phthalazine-1-carboxamide
CID 18075195
1-methyl-4-[[2-(trifluoromethyl)phenyl]carbamoyl]pyrazole-5-carboxylic acid
CID 19496083
6-methoxy-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 90509411
5-amino-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 81319297
N-[2-(trifluoromethyl)phenyl]quinoline-2-carboxamide
CID 127043003
6-propan-2-yl-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 113200454
6-oxo-N-[2-(trifluoromethyl)phenyl]-1H-pyrimidine-4-carboxamide
CID 136666349
5-(N-methylanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109197685

Frequently Asked Questions

What is the IUPAC name of 1-methyl-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The IUPAC name of 1-methyl-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide (CID 42161810) is 1-methyl-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide.
What is the SMILES notation for 1-methyl-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The canonical SMILES for 1-methyl-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is Cn1nc(C(=O)Nc2ccccc2C(F)(F)F)ccc1=O.
What is the InChIKey of 1-methyl-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
The InChIKey is SXZRLXFBBNWORP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3N3O2/c1-19-11(20)7-6-10(18-19)12(21)17-9-5-3-2-4-8(9)13(14,15)16/h2-7H,1H3,(H,17,21).
What are the key properties of 1-methyl-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide?
1-methyl-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide has a molecular weight of 297.24 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-6-oxo-N-[2-(trifluoromethyl)phenyl]pyridazine-3-carboxamide is sourced from PubChem (CID 42161810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).