6-[[1-(3-fluorophenyl)-2,2-dimethylpropyl]amino]pyridazine-3-carbonitrile

C16H17FN4 — CID 133419393

IUPAC6-[[1-(3-fluorophenyl)-2,2-dimethylpropyl]amino]pyridazine-3-carbonitrile
SMILESCC(C)(C)C(Nc1ccc(C#N)nn1)c1cccc(F)c1
InChIInChI=1S/C16H17FN4/c1-16(2,3)15(11-5-4-6-12(17)9-11)19-14-8-7-13(10-18)20-21-14/h4-9,15H,1-3H3,(H,19,21)
InChIKeyCJFWGBIZCQYZJB-UHFFFAOYSA-N
MW284.34 g/mol
LogP3.69
Rot. Bonds3

About 6-[[1-(3-fluorophenyl)-2,2-dimethylpropyl]amino]pyridazine-3-carbonitrile

6-[[1-(3-fluorophenyl)-2,2-dimethylpropyl]amino]pyridazine-3-carbonitrile (PubChem CID 133419393) has the molecular formula C16H17FN4 and a molecular weight of 284.34 g/mol. Its IUPAC name is 6-[[1-(3-fluorophenyl)-2,2-dimethylpropyl]amino]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[[1-(3-fluorophenyl)-2,2-dimethylpropyl]amino]pyridazine-3-carbonitrile
PubChem CID133419393
Molecular FormulaC16H17FN4
Molecular Weight284.34 g/mol
Exact Mass284.14
IUPAC Name6-[[1-(3-fluorophenyl)-2,2-dimethylpropyl]amino]pyridazine-3-carbonitrile
SMILESCC(C)(C)C(Nc1ccc(C#N)nn1)c1cccc(F)c1
InChIInChI=1S/C16H17FN4/c1-16(2,3)15(11-5-4-6-12(17)9-11)19-14-8-7-13(10-18)20-21-14/h4-9,15H,1-3H3,(H,19,21)
InChIKeyCJFWGBIZCQYZJB-UHFFFAOYSA-N
XLogP3.69
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[[1-(3-fluorophenyl)-2,2-dimethylpropyl]amino]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-[[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]amino]pyridazine-3-carbonitrile
CID 133419364
5-[[1-(3-fluorophenyl)-2,2-dimethylpropyl]amino]pyrazine-2-carbonitrile
CID 133486030
6-[[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]amino]pyridazine-3-carbonitrile
CID 133419948
2-[[(1S)-1-(3-fluorophenyl)-2,2-dimethylpropyl]amino]acetonitrile
CID 97334665
6-[1-[4-(trifluoromethyl)phenyl]ethylamino]pyridazine-3-carbonitrile
CID 133418400
6-[1-[4-(trifluoromethoxy)phenyl]ethylamino]pyridazine-3-carbonitrile
CID 133418515
6-[[2-(3-fluorophenyl)-2-methylpropyl]amino]pyridine-2-carbonitrile
CID 133304782
6-[1-(furan-2-yl)ethylamino]pyridazine-3-carbonitrile
CID 133416561
1-[(2R)-3,3-dimethylbutan-2-yl]-3-fluorobenzene
CID 168850046
2-(3-fluorophenyl)-2-hydroxyacetonitrile
CID 18364031
2-chloro-6-[1-(3-fluorophenyl)ethylamino]pyridine-4-carbonitrile
CID 83072975
4-[1-(3-fluorophenyl)ethylamino]-2,2-dimethylbutanenitrile
CID 65248124

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(3-fluorophenyl)-2,2-dimethylpropyl]amino]pyridazine-3-carbonitrile?
The IUPAC name of 6-[[1-(3-fluorophenyl)-2,2-dimethylpropyl]amino]pyridazine-3-carbonitrile (CID 133419393) is 6-[[1-(3-fluorophenyl)-2,2-dimethylpropyl]amino]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[[1-(3-fluorophenyl)-2,2-dimethylpropyl]amino]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[[1-(3-fluorophenyl)-2,2-dimethylpropyl]amino]pyridazine-3-carbonitrile is CC(C)(C)C(Nc1ccc(C#N)nn1)c1cccc(F)c1.
What is the InChIKey of 6-[[1-(3-fluorophenyl)-2,2-dimethylpropyl]amino]pyridazine-3-carbonitrile?
The InChIKey is CJFWGBIZCQYZJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4/c1-16(2,3)15(11-5-4-6-12(17)9-11)19-14-8-7-13(10-18)20-21-14/h4-9,15H,1-3H3,(H,19,21).
What are the key properties of 6-[[1-(3-fluorophenyl)-2,2-dimethylpropyl]amino]pyridazine-3-carbonitrile?
6-[[1-(3-fluorophenyl)-2,2-dimethylpropyl]amino]pyridazine-3-carbonitrile has a molecular weight of 284.34 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(3-fluorophenyl)-2,2-dimethylpropyl]amino]pyridazine-3-carbonitrile is sourced from PubChem (CID 133419393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).