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

C17H11F3N4O — CID 109126640

IUPAC6-anilino-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1ccc(Nc2ccccc2)nn1
InChIInChI=1S/C17H11F3N4O/c18-11-6-7-12(16(20)15(11)19)22-17(25)13-8-9-14(24-23-13)21-10-4-2-1-3-5-10/h1-9H,(H,21,24)(H,22,25)
InChIKeyKQVHDIMPYFKRPB-UHFFFAOYSA-N
MW344.30 g/mol
LogP3.89
Rot. Bonds4

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

6-anilino-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide (PubChem CID 109126640) has the molecular formula C17H11F3N4O and a molecular weight of 344.30 g/mol. Its IUPAC name is 6-anilino-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-anilino-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
PubChem CID109126640
Molecular FormulaC17H11F3N4O
Molecular Weight344.30 g/mol
Exact Mass344.09
IUPAC Name6-anilino-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1F)c1ccc(Nc2ccccc2)nn1
InChIInChI=1S/C17H11F3N4O/c18-11-6-7-12(16(20)15(11)19)22-17(25)13-8-9-14(24-23-13)21-10-4-2-1-3-5-10/h1-9H,(H,21,24)(H,22,25)
InChIKeyKQVHDIMPYFKRPB-UHFFFAOYSA-N
XLogP3.89
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.30
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-(4-methylanilino)-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
CID 109127073
N-(2-cyanophenyl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide
CID 109130365
N-(3,4-difluorophenyl)-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide
CID 109130401
6-(4-chloroanilino)-N-(2-chlorophenyl)pyridazine-3-carboxamide
CID 109128614
6-(3-chloro-4-fluoroanilino)-N-phenylpyridazine-3-carboxamide
CID 109126674
6-(2,6-difluoroanilino)-N-phenylpyridazine-3-carboxamide
CID 109126736
N-(4-acetamidophenyl)-6-anilinopyridazine-3-carboxamide
CID 109126601
6-[(4-fluorophenyl)methylamino]-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide
CID 109119521
6-anilino-N-(4-bromo-2-methylphenyl)pyridazine-3-carboxamide
CID 109126617
6-(4-chloroanilino)-N-(3-fluorophenyl)pyridazine-3-carboxamide
CID 109128752
2-anilino-N-(2,3,4-trifluorophenyl)pyrimidine-5-carboxamide
CID 109265275
N-propan-2-yl-6-(2,3,4-trifluoroanilino)pyridazine-3-carboxamide
CID 109109786

Frequently Asked Questions

What is the IUPAC name of 6-anilino-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide?
The IUPAC name of 6-anilino-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide (CID 109126640) is 6-anilino-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-anilino-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-anilino-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide is O=C(Nc1ccc(F)c(F)c1F)c1ccc(Nc2ccccc2)nn1.
What is the InChIKey of 6-anilino-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide?
The InChIKey is KQVHDIMPYFKRPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4O/c18-11-6-7-12(16(20)15(11)19)22-17(25)13-8-9-14(24-23-13)21-10-4-2-1-3-5-10/h1-9H,(H,21,24)(H,22,25).
What are the key properties of 6-anilino-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide?
6-anilino-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide has a molecular weight of 344.30 g/mol, XLogP of 3.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-anilino-N-(2,3,4-trifluorophenyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109126640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).