6-[4-methoxy-3-(2,2,2-trifluoroethoxy)anilino]pyridazine-3-carbonitrile

C14H11F3N4O2 — CID 133418635

IUPAC6-[4-methoxy-3-(2,2,2-trifluoroethoxy)anilino]pyridazine-3-carbonitrile
SMILESCOc1ccc(Nc2ccc(C#N)nn2)cc1OCC(F)(F)F
InChIInChI=1S/C14H11F3N4O2/c1-22-11-4-2-9(6-12(11)23-8-14(15,16)17)19-13-5-3-10(7-18)20-21-13/h2-6H,8H2,1H3,(H,19,21)
InChIKeyAGPNAYYEJMHHQJ-UHFFFAOYSA-N
MW324.26 g/mol
LogP3.04
Rot. Bonds5

About 6-[4-methoxy-3-(2,2,2-trifluoroethoxy)anilino]pyridazine-3-carbonitrile

6-[4-methoxy-3-(2,2,2-trifluoroethoxy)anilino]pyridazine-3-carbonitrile (PubChem CID 133418635) has the molecular formula C14H11F3N4O2 and a molecular weight of 324.26 g/mol. Its IUPAC name is 6-[4-methoxy-3-(2,2,2-trifluoroethoxy)anilino]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[4-methoxy-3-(2,2,2-trifluoroethoxy)anilino]pyridazine-3-carbonitrile
PubChem CID133418635
Molecular FormulaC14H11F3N4O2
Molecular Weight324.26 g/mol
Exact Mass324.08
IUPAC Name6-[4-methoxy-3-(2,2,2-trifluoroethoxy)anilino]pyridazine-3-carbonitrile
SMILESCOc1ccc(Nc2ccc(C#N)nn2)cc1OCC(F)(F)F
InChIInChI=1S/C14H11F3N4O2/c1-22-11-4-2-9(6-12(11)23-8-14(15,16)17)19-13-5-3-10(7-18)20-21-13/h2-6H,8H2,1H3,(H,19,21)
InChIKeyAGPNAYYEJMHHQJ-UHFFFAOYSA-N
XLogP3.04
TPSA80.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.26
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[4-methoxy-3-(2,2,2-trifluoroethoxy)anilino]pyridazine-3-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

6-[4-methoxy-3-(2-methoxyethoxy)anilino]pyridazine-3-carbonitrile
CID 133418637
3-chloro-6-[4-methoxy-3-(2,2,2-trifluoroethoxy)anilino]pyridine-2-carbonitrile
CID 133351459
6-[4-(difluoromethoxy)-3-(4-methoxyphenyl)anilino]pyridazine-3-carbonitrile
CID 133416340
6-[4-(3,3,3-trifluoropropyl)anilino]pyridazine-3-carbonitrile
CID 133419252
6-(3-fluoro-4-methylanilino)pyridazine-3-carbonitrile
CID 163350337
1-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-N-methylmethanamine
CID 43278729
N-[3-cyano-4-(2,2,2-trifluoroethoxy)phenyl]-2,5-dimethoxybenzamide
CID 55710580
6-(4-ethylanilino)pyridazine-3-carbonitrile
CID 163350318
6-(3-chloro-4-fluoroanilino)pyridazine-3-carbonitrile
CID 163350395
N-[4-methoxy-3-(2,2,2-trifluoroethoxy)phenyl]-3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 99844656
N-[4-(2,2,2-trifluoroethoxy)phenyl]-6-(trifluoromethyl)pyridazin-3-amine
CID 133434247
4-methoxy-3-(2,2,2-trifluoroethoxy)phenol
CID 167312142

Frequently Asked Questions

What is the IUPAC name of 6-[4-methoxy-3-(2,2,2-trifluoroethoxy)anilino]pyridazine-3-carbonitrile?
The IUPAC name of 6-[4-methoxy-3-(2,2,2-trifluoroethoxy)anilino]pyridazine-3-carbonitrile (CID 133418635) is 6-[4-methoxy-3-(2,2,2-trifluoroethoxy)anilino]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[4-methoxy-3-(2,2,2-trifluoroethoxy)anilino]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[4-methoxy-3-(2,2,2-trifluoroethoxy)anilino]pyridazine-3-carbonitrile is COc1ccc(Nc2ccc(C#N)nn2)cc1OCC(F)(F)F.
What is the InChIKey of 6-[4-methoxy-3-(2,2,2-trifluoroethoxy)anilino]pyridazine-3-carbonitrile?
The InChIKey is AGPNAYYEJMHHQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O2/c1-22-11-4-2-9(6-12(11)23-8-14(15,16)17)19-13-5-3-10(7-18)20-21-13/h2-6H,8H2,1H3,(H,19,21).
What are the key properties of 6-[4-methoxy-3-(2,2,2-trifluoroethoxy)anilino]pyridazine-3-carbonitrile?
6-[4-methoxy-3-(2,2,2-trifluoroethoxy)anilino]pyridazine-3-carbonitrile has a molecular weight of 324.26 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-methoxy-3-(2,2,2-trifluoroethoxy)anilino]pyridazine-3-carbonitrile is sourced from PubChem (CID 133418635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).