6-[[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]amino]pyridazine-3-carbonitrile

C17H17F3N4 — CID 133419364

IUPAC6-[[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]amino]pyridazine-3-carbonitrile
SMILESCC(C)(C)C(Nc1ccc(C#N)nn1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H17F3N4/c1-16(2,3)15(22-14-8-7-13(10-21)23-24-14)11-5-4-6-12(9-11)17(18,19)20/h4-9,15H,1-3H3,(H,22,24)
InChIKeyWFCIVWZCVFDDTK-UHFFFAOYSA-N
MW334.35 g/mol
LogP4.57
Rot. Bonds3

About 6-[[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]amino]pyridazine-3-carbonitrile

6-[[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]amino]pyridazine-3-carbonitrile (PubChem CID 133419364) has the molecular formula C17H17F3N4 and a molecular weight of 334.35 g/mol. Its IUPAC name is 6-[[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]amino]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]amino]pyridazine-3-carbonitrile
PubChem CID133419364
Molecular FormulaC17H17F3N4
Molecular Weight334.35 g/mol
Exact Mass334.14
IUPAC Name6-[[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]amino]pyridazine-3-carbonitrile
SMILESCC(C)(C)C(Nc1ccc(C#N)nn1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C17H17F3N4/c1-16(2,3)15(22-14-8-7-13(10-21)23-24-14)11-5-4-6-12(9-11)17(18,19)20/h4-9,15H,1-3H3,(H,22,24)
InChIKeyWFCIVWZCVFDDTK-UHFFFAOYSA-N
XLogP4.57
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.35
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[[1-(3-fluorophenyl)-2,2-dimethylpropyl]amino]pyridazine-3-carbonitrile
CID 133419393
6-[1-[4-(trifluoromethyl)phenyl]ethylamino]pyridazine-3-carbonitrile
CID 133418400
6-[[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]amino]pyridazine-3-carbonitrile
CID 133419948
5-[[1-(3-fluorophenyl)-2,2-dimethylpropyl]amino]pyrazine-2-carbonitrile
CID 133486030
1-[(1S)-2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]-3-pyridin-2-ylurea
CID 52521709
6-[1-[4-(trifluoromethoxy)phenyl]ethylamino]pyridazine-3-carbonitrile
CID 133418515
(1R)-2,2-dimethyl-N-[(2-methyltetrazol-5-yl)methyl]-1-[3-(trifluoromethyl)phenyl]propan-1-amine
CID 124626248
(2S)-2-amino-N-[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]propanamide
CID 119316444
N-ethyl-6-[3-(trifluoromethyl)phenyl]pyridazin-3-amine
CID 62201435
[2,2,2-trifluoro-1-[3-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 53402398
trichloro-[1-[3-(trifluoromethyl)phenyl]ethyl]silane
CID 22373348
2-(dimethylamino)-2-[3-(trifluoromethyl)phenyl]acetonitrile
CID 43802593

Frequently Asked Questions

What is the IUPAC name of 6-[[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]amino]pyridazine-3-carbonitrile?
The IUPAC name of 6-[[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]amino]pyridazine-3-carbonitrile (CID 133419364) is 6-[[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]amino]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]amino]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]amino]pyridazine-3-carbonitrile is CC(C)(C)C(Nc1ccc(C#N)nn1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 6-[[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]amino]pyridazine-3-carbonitrile?
The InChIKey is WFCIVWZCVFDDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N4/c1-16(2,3)15(22-14-8-7-13(10-21)23-24-14)11-5-4-6-12(9-11)17(18,19)20/h4-9,15H,1-3H3,(H,22,24).
What are the key properties of 6-[[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]amino]pyridazine-3-carbonitrile?
6-[[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]amino]pyridazine-3-carbonitrile has a molecular weight of 334.35 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]amino]pyridazine-3-carbonitrile is sourced from PubChem (CID 133419364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).