6-[[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]amino]pyridazine-3-carbonitrile

C16H16F2N4 — CID 133419948

IUPAC6-[[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]amino]pyridazine-3-carbonitrile
SMILESCC(C)(C)C(Nc1ccc(C#N)nn1)c1ccc(F)cc1F
InChIInChI=1S/C16H16F2N4/c1-16(2,3)15(12-6-4-10(17)8-13(12)18)20-14-7-5-11(9-19)21-22-14/h4-8,15H,1-3H3,(H,20,22)
InChIKeyHTACVFCPHYSZMI-UHFFFAOYSA-N
MW302.33 g/mol
LogP3.83
Rot. Bonds3

About 6-[[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]amino]pyridazine-3-carbonitrile

6-[[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]amino]pyridazine-3-carbonitrile (PubChem CID 133419948) has the molecular formula C16H16F2N4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 6-[[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]amino]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]amino]pyridazine-3-carbonitrile
PubChem CID133419948
Molecular FormulaC16H16F2N4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name6-[[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]amino]pyridazine-3-carbonitrile
SMILESCC(C)(C)C(Nc1ccc(C#N)nn1)c1ccc(F)cc1F
InChIInChI=1S/C16H16F2N4/c1-16(2,3)15(12-6-4-10(17)8-13(12)18)20-14-7-5-11(9-19)21-22-14/h4-8,15H,1-3H3,(H,20,22)
InChIKeyHTACVFCPHYSZMI-UHFFFAOYSA-N
XLogP3.83
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 53.83
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-[[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]amino]pyridazine-3-carbonitrile
CID 133419364
1-(2,4-difluorophenyl)-N-ethyl-2,2-dimethylpropan-1-amine
CID 43491007
3-amino-3-(2,4-difluorophenyl)-2,2-dimethylpropanenitrile
CID 116940397
5-[[1-(3-fluorophenyl)-2,2-dimethylpropyl]amino]pyrazine-2-carbonitrile
CID 133486030
6-[1-[4-(trifluoromethyl)phenyl]ethylamino]pyridazine-3-carbonitrile
CID 133418400
2-[(6-cyanopyridazin-3-yl)amino]propanamide
CID 130676267
6-(3-fluoro-4-methylanilino)pyridazine-3-carbonitrile
CID 163350337
6-[1-[4-(trifluoromethoxy)phenyl]ethylamino]pyridazine-3-carbonitrile
CID 133418515
1-(2,4-difluorophenyl)-2,2-dimethylpropan-1-amine
CID 43197752
4-[1-(2,4-difluorophenyl)ethylamino]pyrimidine-2-carbonitrile
CID 91320280
6-[[4-(4-fluorophenoxy)phenyl]methylamino]pyridazine-3-carbonitrile
CID 133432484

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]amino]pyridazine-3-carbonitrile?
The IUPAC name of 6-[[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]amino]pyridazine-3-carbonitrile (CID 133419948) is 6-[[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]amino]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]amino]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]amino]pyridazine-3-carbonitrile is CC(C)(C)C(Nc1ccc(C#N)nn1)c1ccc(F)cc1F.
What is the InChIKey of 6-[[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]amino]pyridazine-3-carbonitrile?
The InChIKey is HTACVFCPHYSZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4/c1-16(2,3)15(12-6-4-10(17)8-13(12)18)20-14-7-5-11(9-19)21-22-14/h4-8,15H,1-3H3,(H,20,22).
What are the key properties of 6-[[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]amino]pyridazine-3-carbonitrile?
6-[[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]amino]pyridazine-3-carbonitrile has a molecular weight of 302.33 g/mol, XLogP of 3.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(2,4-difluorophenyl)-2,2-dimethylpropyl]amino]pyridazine-3-carbonitrile is sourced from PubChem (CID 133419948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).