6-cyclopropyl-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide

C14H10F3N3O — CID 113200317

IUPAC6-cyclopropyl-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1ccc(C2CC2)nn1
InChIInChI=1S/C14H10F3N3O/c15-8-3-4-10(13(17)12(8)16)18-14(21)11-6-5-9(19-20-11)7-1-2-7/h3-7H,1-2H2,(H,18,21)
InChIKeyFBVHCLVSCRMGLT-UHFFFAOYSA-N
MW293.25 g/mol
LogP3.02
Rot. Bonds3

About 6-cyclopropyl-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide

6-cyclopropyl-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide (PubChem CID 113200317) has the molecular formula C14H10F3N3O and a molecular weight of 293.25 g/mol. Its IUPAC name is 6-cyclopropyl-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
PubChem CID113200317
Molecular FormulaC14H10F3N3O
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC Name6-cyclopropyl-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1ccc(C2CC2)nn1
InChIInChI=1S/C14H10F3N3O/c15-8-3-4-10(13(17)12(8)16)18-14(21)11-6-5-9(19-20-11)7-1-2-7/h3-7H,1-2H2,(H,18,21)
InChIKeyFBVHCLVSCRMGLT-UHFFFAOYSA-N
XLogP3.02
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-(cyclohexylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109183232
6-anilino-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
CID 109126640
6-[(4-fluorophenyl)methylamino]-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
CID 109119521
6-cyclopropyl-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 113200265
6-(pyridin-3-ylmethylamino)-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
CID 109121081
6-cyclopropyl-N-(2-phenoxyphenyl)pyridazine-3-carboxamide
CID 113200298
6-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
CID 109127073
N-(2,3,4-trifluorophenyl)-1,2,5-oxadiazole-3-carboxamide
CID 84579000
N-(4-cyanophenyl)-6-cyclopropylpyridazine-3-carboxamide
CID 113200315
2-(cyclopropylamino)-N-(2,3,4-trifluorophenyl)pyrimidine-4-carboxamide
CID 109295710
N-cycloheptyl-5-(2,3,4-trifluoroanilino)pyridine-2-carboxamide
CID 109195345
4-(cyclopentylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109204356

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-cyclopropyl-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide (CID 113200317) is 6-cyclopropyl-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide is O=C(Nc1ccc(F)c(F)c1F)c1ccc(C2CC2)nn1.
What is the InChIKey of 6-cyclopropyl-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide?
The InChIKey is FBVHCLVSCRMGLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O/c15-8-3-4-10(13(17)12(8)16)18-14(21)11-6-5-9(19-20-11)7-1-2-7/h3-7H,1-2H2,(H,18,21).
What are the key properties of 6-cyclopropyl-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide?
6-cyclopropyl-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide has a molecular weight of 293.25 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 113200317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).