5,6-dimethyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]pyridazine-4-carbonitrile

C11H11F3N4 — CID 106213572

IUPAC5,6-dimethyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]pyridazine-4-carbonitrile
SMILESCc1nnc(NC2(C(F)(F)F)CC2)c(C#N)c1C
InChIInChI=1S/C11H11F3N4/c1-6-7(2)17-18-9(8(6)5-15)16-10(3-4-10)11(12,13)14/h3-4H2,1-2H3,(H,16,18)
InChIKeyWNRCGXHZUBVOHQ-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.47
Rot. Bonds2

About 5,6-dimethyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]pyridazine-4-carbonitrile

5,6-dimethyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]pyridazine-4-carbonitrile (PubChem CID 106213572) has the molecular formula C11H11F3N4 and a molecular weight of 256.23 g/mol. Its IUPAC name is 5,6-dimethyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name5,6-dimethyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]pyridazine-4-carbonitrile
PubChem CID106213572
Molecular FormulaC11H11F3N4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC Name5,6-dimethyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]pyridazine-4-carbonitrile
SMILESCc1nnc(NC2(C(F)(F)F)CC2)c(C#N)c1C
InChIInChI=1S/C11H11F3N4/c1-6-7(2)17-18-9(8(6)5-15)16-10(3-4-10)11(12,13)14/h3-4H2,1-2H3,(H,16,18)
InChIKeyWNRCGXHZUBVOHQ-UHFFFAOYSA-N
XLogP2.47
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,2-dimethylpropylamino)-5,6-dimethylpyridazine-4-carbonitrile
CID 55139329
3-(3,3-dimethylbutan-2-ylamino)-5,6-dimethylpyridazine-4-carbonitrile
CID 104828361
5,6-dimethyl-3-[(1-methylcyclobutyl)methylamino]pyridazine-4-carbonitrile
CID 113251743
3-[[1-(aminomethyl)-2-methylcyclohexyl]amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 115309041
5,6-dimethyl-3-[(1-methylcyclohexyl)methylamino]pyridazine-4-carbonitrile
CID 103753749
5,6-dimethyl-3-[4-(trifluoromethyl)anilino]pyridazine-4-carbonitrile
CID 61096636
5,6-dimethyl-3-(prop-2-ynylamino)pyridazine-4-carbonitrile
CID 61096643
5,6-dimethyl-3-[2-(2-methylpropoxy)ethylamino]pyridazine-4-carbonitrile
CID 115586277
5,6-dimethyl-3-(5-methylhexan-2-ylamino)pyridazine-4-carbonitrile
CID 47394896
5,6-dimethyl-3-(2,3,3-trimethylbutylamino)pyridazine-4-carbonitrile
CID 78966585
2-methyl-6-[[1-(trifluoromethyl)cyclopropyl]amino]pyridine-4-carbonitrile
CID 114159032
3-[(2-ethyl-2-hydroxybutyl)amino]-5,6-dimethylpyridazine-4-carbonitrile
CID 78982316

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]pyridazine-4-carbonitrile?
The IUPAC name of 5,6-dimethyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]pyridazine-4-carbonitrile (CID 106213572) is 5,6-dimethyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]pyridazine-4-carbonitrile.
What is the SMILES notation for 5,6-dimethyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]pyridazine-4-carbonitrile?
The canonical SMILES for 5,6-dimethyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]pyridazine-4-carbonitrile is Cc1nnc(NC2(C(F)(F)F)CC2)c(C#N)c1C.
What is the InChIKey of 5,6-dimethyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]pyridazine-4-carbonitrile?
The InChIKey is WNRCGXHZUBVOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N4/c1-6-7(2)17-18-9(8(6)5-15)16-10(3-4-10)11(12,13)14/h3-4H2,1-2H3,(H,16,18).
What are the key properties of 5,6-dimethyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]pyridazine-4-carbonitrile?
5,6-dimethyl-3-[[1-(trifluoromethyl)cyclopropyl]amino]pyridazine-4-carbonitrile has a molecular weight of 256.23 g/mol, XLogP of 2.47, 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-[[1-(trifluoromethyl)cyclopropyl]amino]pyridazine-4-carbonitrile is sourced from PubChem (CID 106213572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).