5,6-dimethyl-3-(2,3,5,6-tetrafluoroanilino)pyridazine-4-carbonitrile

C13H8F4N4 — CID 107644815

IUPAC5,6-dimethyl-3-(2,3,5,6-tetrafluoroanilino)pyridazine-4-carbonitrile
SMILESCc1nnc(Nc2c(F)c(F)cc(F)c2F)c(C#N)c1C
InChIInChI=1S/C13H8F4N4/c1-5-6(2)20-21-13(7(5)4-18)19-12-10(16)8(14)3-9(15)11(12)17/h3H,1-2H3,(H,19,21)
InChIKeyKAOBXUUUPQEZOT-UHFFFAOYSA-N
MW296.23 g/mol
LogP3.27
Rot. Bonds2

About 5,6-dimethyl-3-(2,3,5,6-tetrafluoroanilino)pyridazine-4-carbonitrile

5,6-dimethyl-3-(2,3,5,6-tetrafluoroanilino)pyridazine-4-carbonitrile (PubChem CID 107644815) has the molecular formula C13H8F4N4 and a molecular weight of 296.23 g/mol. Its IUPAC name is 5,6-dimethyl-3-(2,3,5,6-tetrafluoroanilino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-(2,3,5,6-tetrafluoroanilino)pyridazine-4-carbonitrile
PubChem CID107644815
Molecular FormulaC13H8F4N4
Molecular Weight296.23 g/mol
Exact Mass296.07
IUPAC Name5,6-dimethyl-3-(2,3,5,6-tetrafluoroanilino)pyridazine-4-carbonitrile
SMILESCc1nnc(Nc2c(F)c(F)cc(F)c2F)c(C#N)c1C
InChIInChI=1S/C13H8F4N4/c1-5-6(2)20-21-13(7(5)4-18)19-12-10(16)8(14)3-9(15)11(12)17/h3H,1-2H3,(H,19,21)
InChIKeyKAOBXUUUPQEZOT-UHFFFAOYSA-N
XLogP3.27
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.23
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 5,6-dimethyl-3-(2,3,5,6-tetrafluoroanilino)pyridazine-4-carbonitrile 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

5,6-dimethyl-3-(2,4,5-trifluoroanilino)pyridazine-4-carbonitrile
CID 62815401
3-(2,3-difluoroanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 61097247
3-(2-fluoroanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 61097029
3-(4-bromo-2-fluoroanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 61096439
3-(4-fluoro-2-methylanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 61095850
3-(3,5-dichloroanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 61096638
3-(4-bromo-3,5-dimethylanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 107574599
3-(3-fluoro-5-methoxyanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 133361981
5,6-dimethyl-3-[(5-methyl-3-pyridinyl)amino]pyridazine-4-carbonitrile
CID 107585528
5,6-dimethyl-3-[4-(trifluoromethyl)anilino]pyridazine-4-carbonitrile
CID 61096636
5,6-dimethyl-3-(naphthalen-2-ylamino)pyridazine-4-carbonitrile
CID 60731996
3-(3-ethylanilino)-5,6-dimethylpyridazine-4-carbonitrile
CID 31535423

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(2,3,5,6-tetrafluoroanilino)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-(2,3,5,6-tetrafluoroanilino)pyridazine-4-carbonitrile (CID 107644815) is 5,6-dimethyl-3-(2,3,5,6-tetrafluoroanilino)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-(2,3,5,6-tetrafluoroanilino)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-(2,3,5,6-tetrafluoroanilino)pyridazine-4-carbonitrile is Cc1nnc(Nc2c(F)c(F)cc(F)c2F)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-(2,3,5,6-tetrafluoroanilino)pyridazine-4-carbonitrile?
The InChIKey is KAOBXUUUPQEZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F4N4/c1-5-6(2)20-21-13(7(5)4-18)19-12-10(16)8(14)3-9(15)11(12)17/h3H,1-2H3,(H,19,21).
What are the key properties of 5,6-dimethyl-3-(2,3,5,6-tetrafluoroanilino)pyridazine-4-carbonitrile?
5,6-dimethyl-3-(2,3,5,6-tetrafluoroanilino)pyridazine-4-carbonitrile has a molecular weight of 296.23 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(2,3,5,6-tetrafluoroanilino)pyridazine-4-carbonitrile is sourced from PubChem (CID 107644815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).