2,2-dimethyl-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]propanenitrile

C10H11F3N4 — CID 136522122

IUPAC2,2-dimethyl-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]propanenitrile
SMILESCC(C)(C#N)CNc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C10H11F3N4/c1-9(2,5-14)6-15-8-4-3-7(16-17-8)10(11,12)13/h3-4H,6H2,1-2H3,(H,15,17)
InChIKeyVFZREBKGHODPNJ-UHFFFAOYSA-N
MW244.22 g/mol
LogP2.46
Rot. Bonds3

About 2,2-dimethyl-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]propanenitrile

2,2-dimethyl-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]propanenitrile (PubChem CID 136522122) has the molecular formula C10H11F3N4 and a molecular weight of 244.22 g/mol. Its IUPAC name is 2,2-dimethyl-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]propanenitrile.

Molecular Properties

Compound Name2,2-dimethyl-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]propanenitrile
PubChem CID136522122
Molecular FormulaC10H11F3N4
Molecular Weight244.22 g/mol
Exact Mass244.09
IUPAC Name2,2-dimethyl-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]propanenitrile
SMILESCC(C)(C#N)CNc1ccc(C(F)(F)F)nn1
InChIInChI=1S/C10H11F3N4/c1-9(2,5-14)6-15-8-4-3-7(16-17-8)10(11,12)13/h3-4H,6H2,1-2H3,(H,15,17)
InChIKeyVFZREBKGHODPNJ-UHFFFAOYSA-N
XLogP2.46
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-6-methylpyridazin-3-amine
CID 52092805
N,6-Dimethyl-3-pyridazinamine
CID 54593513
N-(3-methylbut-2-enyl)-1-(6-methylpyridazin-3-yl)piperidin-3-amine
CID 72144296
1-(6-Methylpyridazin-3-yl)-1,4-diazepane
CID 22478609
N,6-dimethyl-N-(piperidin-4-yl)pyridazin-3-amine hydrobromide
CID 54593803
2-[[2-Methyl-2-(6-methylpyridazin-3-yl)hydrazinyl]methylidene]propanedinitrile
CID 6409885
6-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridazin-3-amine
CID 61790874
6-[[(1S)-1-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]ethyl]amino]pyridazine-3-carbonitrile
CID 99778522
N,N-dimethyl-N'-propan-2-yl-N'-[6-(trifluoromethyl)pyridazin-3-yl]ethane-1,2-diamine
CID 99838529
(2R)-2-N,2-N,3-trimethyl-1-N-(6-propan-2-ylpyridazin-3-yl)butane-1,2-diamine
CID 125440775
(2S)-2-N,2-N-dimethyl-1-N-(6-propan-2-ylpyridazin-3-yl)pentane-1,2-diamine
CID 125447545
N-[[(1S)-2,2-dimethylcyclopropyl]methyl]-6-propan-2-ylpyridazin-3-amine
CID 125447897

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]propanenitrile?
The IUPAC name of 2,2-dimethyl-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]propanenitrile (CID 136522122) is 2,2-dimethyl-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]propanenitrile.
What is the SMILES notation for 2,2-dimethyl-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]propanenitrile?
The canonical SMILES for 2,2-dimethyl-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]propanenitrile is CC(C)(C#N)CNc1ccc(C(F)(F)F)nn1.
What is the InChIKey of 2,2-dimethyl-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]propanenitrile?
The InChIKey is VFZREBKGHODPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N4/c1-9(2,5-14)6-15-8-4-3-7(16-17-8)10(11,12)13/h3-4H,6H2,1-2H3,(H,15,17).
What are the key properties of 2,2-dimethyl-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]propanenitrile?
2,2-dimethyl-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]propanenitrile has a molecular weight of 244.22 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[[6-(trifluoromethyl)pyridazin-3-yl]amino]propanenitrile is sourced from PubChem (CID 136522122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).