6-[4-(3,3,3-trifluoropropyl)anilino]pyridazine-3-carbonitrile

C14H11F3N4 — CID 133419252

IUPAC6-[4-(3,3,3-trifluoropropyl)anilino]pyridazine-3-carbonitrile
SMILESN#Cc1ccc(Nc2ccc(CCC(F)(F)F)cc2)nn1
InChIInChI=1S/C14H11F3N4/c15-14(16,17)8-7-10-1-3-11(4-2-10)19-13-6-5-12(9-18)20-21-13/h1-6H,7-8H2,(H,19,21)
InChIKeyXATVKJRILVDURP-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.59
Rot. Bonds4

About 6-[4-(3,3,3-trifluoropropyl)anilino]pyridazine-3-carbonitrile

6-[4-(3,3,3-trifluoropropyl)anilino]pyridazine-3-carbonitrile (PubChem CID 133419252) has the molecular formula C14H11F3N4 and a molecular weight of 292.26 g/mol. Its IUPAC name is 6-[4-(3,3,3-trifluoropropyl)anilino]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-(3,3,3-trifluoropropyl)anilino]pyridazine-3-carbonitrile
PubChem CID133419252
Molecular FormulaC14H11F3N4
Molecular Weight292.26 g/mol
Exact Mass292.09
IUPAC Name6-[4-(3,3,3-trifluoropropyl)anilino]pyridazine-3-carbonitrile
SMILESN#Cc1ccc(Nc2ccc(CCC(F)(F)F)cc2)nn1
InChIInChI=1S/C14H11F3N4/c15-14(16,17)8-7-10-1-3-11(4-2-10)19-13-6-5-12(9-18)20-21-13/h1-6H,7-8H2,(H,19,21)
InChIKeyXATVKJRILVDURP-UHFFFAOYSA-N
XLogP3.59
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-ethylanilino)pyridazine-3-carbonitrile
CID 163350318
6-[4-methoxy-3-(2,2,2-trifluoroethoxy)anilino]pyridazine-3-carbonitrile
CID 133418635
6-(3-fluoro-4-methylanilino)pyridazine-3-carbonitrile
CID 163350337
6-(3-chloro-4-fluoroanilino)pyridazine-3-carbonitrile
CID 163350395
5-[4-(2,2,2-trifluoroethyl)anilino]pyrazine-2-carbonitrile
CID 133484054
N-[4-[(6-cyanopyridazin-3-yl)amino]phenyl]-2-methylpropanamide
CID 133415991
6-[4-methoxy-3-(2-methoxyethoxy)anilino]pyridazine-3-carbonitrile
CID 133418637
3-cyclopropyl-N-[4-(3,3,3-trifluoropropyl)phenyl]-1,2,4-thiadiazol-5-amine
CID 133429620
6-[[4-(4-fluorophenoxy)phenyl]methylamino]pyridazine-3-carbonitrile
CID 133432484
N-[4-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 133434247
N-[6-(4-cyanoanilino)pyridazin-3-yl]-3-phenylpropanamide
CID 113051334
methyl 4-chloro-2-[4-(3,3,3-trifluoropropyl)anilino]-1,3-thiazole-5-carboxylate
CID 133429643

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3,3,3-trifluoropropyl)anilino]pyridazine-3-carbonitrile?
The IUPAC name of 6-[4-(3,3,3-trifluoropropyl)anilino]pyridazine-3-carbonitrile (CID 133419252) is 6-[4-(3,3,3-trifluoropropyl)anilino]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[4-(3,3,3-trifluoropropyl)anilino]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[4-(3,3,3-trifluoropropyl)anilino]pyridazine-3-carbonitrile is N#Cc1ccc(Nc2ccc(CCC(F)(F)F)cc2)nn1.
What is the InChIKey of 6-[4-(3,3,3-trifluoropropyl)anilino]pyridazine-3-carbonitrile?
The InChIKey is XATVKJRILVDURP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4/c15-14(16,17)8-7-10-1-3-11(4-2-10)19-13-6-5-12(9-18)20-21-13/h1-6H,7-8H2,(H,19,21).
What are the key properties of 6-[4-(3,3,3-trifluoropropyl)anilino]pyridazine-3-carbonitrile?
6-[4-(3,3,3-trifluoropropyl)anilino]pyridazine-3-carbonitrile has a molecular weight of 292.26 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3,3,3-trifluoropropyl)anilino]pyridazine-3-carbonitrile is sourced from PubChem (CID 133419252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).