6-[1-[4-(trifluoromethyl)phenyl]ethylamino]pyridazine-3-carbonitrile

C14H11F3N4 — CID 133418400

IUPAC6-[1-[4-(trifluoromethyl)phenyl]ethylamino]pyridazine-3-carbonitrile
SMILESCC(Nc1ccc(C#N)nn1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H11F3N4/c1-9(19-13-7-6-12(8-18)20-21-13)10-2-4-11(5-3-10)14(15,16)17/h2-7,9H,1H3,(H,19,21)
InChIKeyNIGHUBBZGUWPPC-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.54
Rot. Bonds3

About 6-[1-[4-(trifluoromethyl)phenyl]ethylamino]pyridazine-3-carbonitrile

6-[1-[4-(trifluoromethyl)phenyl]ethylamino]pyridazine-3-carbonitrile (PubChem CID 133418400) has the molecular formula C14H11F3N4 and a molecular weight of 292.26 g/mol. Its IUPAC name is 6-[1-[4-(trifluoromethyl)phenyl]ethylamino]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-[4-(trifluoromethyl)phenyl]ethylamino]pyridazine-3-carbonitrile
PubChem CID133418400
Molecular FormulaC14H11F3N4
Molecular Weight292.26 g/mol
Exact Mass292.09
IUPAC Name6-[1-[4-(trifluoromethyl)phenyl]ethylamino]pyridazine-3-carbonitrile
SMILESCC(Nc1ccc(C#N)nn1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H11F3N4/c1-9(19-13-7-6-12(8-18)20-21-13)10-2-4-11(5-3-10)14(15,16)17/h2-7,9H,1H3,(H,19,21)
InChIKeyNIGHUBBZGUWPPC-UHFFFAOYSA-N
XLogP3.54
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[1-[4-(trifluoromethoxy)phenyl]ethylamino]pyridazine-3-carbonitrile
CID 133418515
6-[[2,2-dimethyl-1-[3-(trifluoromethyl)phenyl]propyl]amino]pyridazine-3-carbonitrile
CID 133419364
6-[1-(furan-2-yl)ethylamino]pyridazine-3-carbonitrile
CID 133416561
2-[1-[4-(trifluoromethyl)phenyl]ethylamino]pyridine-3-carbonitrile
CID 42893054
2-[1-[4-(trifluoromethyl)phenyl]ethylamino]acetonitrile
CID 86782131
2-[(6-cyanopyridazin-3-yl)amino]propanamide
CID 130676267
6-(1-phenylethylamino)-N-[4-(trifluoromethyl)phenyl]pyridazine-3-carboxamide
CID 109118785
6-[1-(2,5-dimethoxyphenyl)ethylamino]pyridazine-3-carbonitrile
CID 133431845
6-[[1-(3-fluorophenyl)-2,2-dimethylpropyl]amino]pyridazine-3-carbonitrile
CID 133419393
2-methyl-3-[1-[4-(trifluoromethyl)phenyl]ethylamino]propanenitrile
CID 62647085
2-methyl-2-[1-[4-(trifluoromethyl)phenyl]ethylamino]propanamide
CID 61219595
N-(1-pyridin-4-ylethyl)-1-[4-(trifluoromethyl)phenyl]ethanamine
CID 43202288

Frequently Asked Questions

What is the IUPAC name of 6-[1-[4-(trifluoromethyl)phenyl]ethylamino]pyridazine-3-carbonitrile?
The IUPAC name of 6-[1-[4-(trifluoromethyl)phenyl]ethylamino]pyridazine-3-carbonitrile (CID 133418400) is 6-[1-[4-(trifluoromethyl)phenyl]ethylamino]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[1-[4-(trifluoromethyl)phenyl]ethylamino]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[1-[4-(trifluoromethyl)phenyl]ethylamino]pyridazine-3-carbonitrile is CC(Nc1ccc(C#N)nn1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 6-[1-[4-(trifluoromethyl)phenyl]ethylamino]pyridazine-3-carbonitrile?
The InChIKey is NIGHUBBZGUWPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4/c1-9(19-13-7-6-12(8-18)20-21-13)10-2-4-11(5-3-10)14(15,16)17/h2-7,9H,1H3,(H,19,21).
What are the key properties of 6-[1-[4-(trifluoromethyl)phenyl]ethylamino]pyridazine-3-carbonitrile?
6-[1-[4-(trifluoromethyl)phenyl]ethylamino]pyridazine-3-carbonitrile has a molecular weight of 292.26 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[4-(trifluoromethyl)phenyl]ethylamino]pyridazine-3-carbonitrile is sourced from PubChem (CID 133418400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).