5,6-dimethyl-3-(2,2,2-trifluoroethylamino)pyridazine-4-carbonitrile

C9H9F3N4 — CID 61096642

IUPAC5,6-dimethyl-3-(2,2,2-trifluoroethylamino)pyridazine-4-carbonitrile
SMILESCc1nnc(NCC(F)(F)F)c(C#N)c1C
InChIInChI=1S/C9H9F3N4/c1-5-6(2)15-16-8(7(5)3-13)14-4-9(10,11)12/h4H2,1-2H3,(H,14,16)
InChIKeyFMKZUQDGJJOARN-UHFFFAOYSA-N
MW230.19 g/mol
LogP1.94
Rot. Bonds2

About 5,6-dimethyl-3-(2,2,2-trifluoroethylamino)pyridazine-4-carbonitrile

5,6-dimethyl-3-(2,2,2-trifluoroethylamino)pyridazine-4-carbonitrile (PubChem CID 61096642) has the molecular formula C9H9F3N4 and a molecular weight of 230.19 g/mol. Its IUPAC name is 5,6-dimethyl-3-(2,2,2-trifluoroethylamino)pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-(2,2,2-trifluoroethylamino)pyridazine-4-carbonitrile
PubChem CID61096642
Molecular FormulaC9H9F3N4
Molecular Weight230.19 g/mol
Exact Mass230.08
IUPAC Name5,6-dimethyl-3-(2,2,2-trifluoroethylamino)pyridazine-4-carbonitrile
SMILESCc1nnc(NCC(F)(F)F)c(C#N)c1C
InChIInChI=1S/C9H9F3N4/c1-5-6(2)15-16-8(7(5)3-13)14-4-9(10,11)12/h4H2,1-2H3,(H,14,16)
InChIKeyFMKZUQDGJJOARN-UHFFFAOYSA-N
XLogP1.94
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5,6-dimethyl-3-(2,2,2-trifluoroethylamino)pyridazine-4-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

3-[(2-Fluorophenyl)methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 31535619
5,6-Dimethyl-3-[4-[[methyl(propan-2-yl)amino]methyl]piperidin-1-yl]pyridazine-4-carbonitrile
CID 47054754
3-[4-[2-(Dimethylamino)ethyl]piperidin-1-yl]-5,6-dimethylpyridazine-4-carbonitrile
CID 56817331
5,6-Dimethyl-3-(4-methylpiperazin-1-yl)pyridazine-4-carbonitrile
CID 31535189
3-[2-(Azepan-1-yl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 32878096
3-[[(2S)-2-(diethylamino)-4-methylpentyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 36721664
3-[(3,5-Difluorophenyl)methylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 37620902
5,6-Diethyl-3-[4-(4-methylpiperazin-1-yl)butylamino]pyridazine-4-carbonitrile
CID 75379455
6-[[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]amino]pyridazine-3-carbonitrile
CID 99778522
2,2-Dimethyl-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]propanenitrile
CID 136522122
rac-5,6-dimethyl-3-[(1R,5R)-1-(trifluoromethyl)-3-azabicyclo[3.2.0]heptan-3-yl]pyridazine-4-carbonitrile
CID 139021570
6-(3,3-Difluoropyrrolidin-1-yl)-5-methylpyridazine-3-carbonitrile
CID 137377714

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-(2,2,2-trifluoroethylamino)pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-(2,2,2-trifluoroethylamino)pyridazine-4-carbonitrile (CID 61096642) is 5,6-dimethyl-3-(2,2,2-trifluoroethylamino)pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-(2,2,2-trifluoroethylamino)pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-(2,2,2-trifluoroethylamino)pyridazine-4-carbonitrile is Cc1nnc(NCC(F)(F)F)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-(2,2,2-trifluoroethylamino)pyridazine-4-carbonitrile?
The InChIKey is FMKZUQDGJJOARN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N4/c1-5-6(2)15-16-8(7(5)3-13)14-4-9(10,11)12/h4H2,1-2H3,(H,14,16).
What are the key properties of 5,6-dimethyl-3-(2,2,2-trifluoroethylamino)pyridazine-4-carbonitrile?
5,6-dimethyl-3-(2,2,2-trifluoroethylamino)pyridazine-4-carbonitrile has a molecular weight of 230.19 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-3-(2,2,2-trifluoroethylamino)pyridazine-4-carbonitrile is sourced from PubChem (CID 61096642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).