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

C14H11F3N4O — CID 133418515

IUPAC6-[1-[4-(trifluoromethoxy)phenyl]ethylamino]pyridazine-3-carbonitrile
SMILESCC(Nc1ccc(C#N)nn1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H11F3N4O/c1-9(19-13-7-4-11(8-18)20-21-13)10-2-5-12(6-3-10)22-14(15,16)17/h2-7,9H,1H3,(H,19,21)
InChIKeySWQVRHWVUBPCSO-UHFFFAOYSA-N
MW308.26 g/mol
LogP3.42
Rot. Bonds4

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

6-[1-[4-(trifluoromethoxy)phenyl]ethylamino]pyridazine-3-carbonitrile (PubChem CID 133418515) has the molecular formula C14H11F3N4O and a molecular weight of 308.26 g/mol. Its IUPAC name is 6-[1-[4-(trifluoromethoxy)phenyl]ethylamino]pyridazine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-[4-(trifluoromethoxy)phenyl]ethylamino]pyridazine-3-carbonitrile
PubChem CID133418515
Molecular FormulaC14H11F3N4O
Molecular Weight308.26 g/mol
Exact Mass308.09
IUPAC Name6-[1-[4-(trifluoromethoxy)phenyl]ethylamino]pyridazine-3-carbonitrile
SMILESCC(Nc1ccc(C#N)nn1)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C14H11F3N4O/c1-9(19-13-7-4-11(8-18)20-21-13)10-2-5-12(6-3-10)22-14(15,16)17/h2-7,9H,1H3,(H,19,21)
InChIKeySWQVRHWVUBPCSO-UHFFFAOYSA-N
XLogP3.42
TPSA70.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[1-[4-(trifluoromethyl)phenyl]ethylamino]pyridazine-3-carbonitrile
CID 133418400
N-[1-[4-(trifluoromethoxy)phenyl]ethyl]-1,3,4-thiadiazol-2-amine
CID 107648522
6-[1-(furan-2-yl)ethylamino]pyridazine-3-carbonitrile
CID 133416561
N-ethyl-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 24697408
2-[(6-cyanopyridazin-3-yl)amino]propanamide
CID 130676267
2-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]propan-1-amine
CID 43190379
6-[methyl-[[4-(trifluoromethoxy)phenyl]methyl]amino]pyridazine-3-carbonitrile
CID 133433734
N-[1-[4-(trifluoromethoxy)phenyl]ethyl]butan-2-amine
CID 43190319
(1S)-N-tert-butylsulfanyl-1-[4-(trifluoromethoxy)phenyl]ethanamine
CID 174916016
4-methyl-N-[1-[4-(trifluoromethoxy)phenyl]ethyl]pentan-1-amine
CID 63452559
6-[[1-(3-fluorophenyl)-2,2-dimethylpropyl]amino]pyridazine-3-carbonitrile
CID 133419393
(1R)-1-[4-(trifluoromethoxy)phenyl]ethanethiol
CID 28974994

Frequently Asked Questions

What is the IUPAC name of 6-[1-[4-(trifluoromethoxy)phenyl]ethylamino]pyridazine-3-carbonitrile?
The IUPAC name of 6-[1-[4-(trifluoromethoxy)phenyl]ethylamino]pyridazine-3-carbonitrile (CID 133418515) is 6-[1-[4-(trifluoromethoxy)phenyl]ethylamino]pyridazine-3-carbonitrile.
What is the SMILES notation for 6-[1-[4-(trifluoromethoxy)phenyl]ethylamino]pyridazine-3-carbonitrile?
The canonical SMILES for 6-[1-[4-(trifluoromethoxy)phenyl]ethylamino]pyridazine-3-carbonitrile is CC(Nc1ccc(C#N)nn1)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 6-[1-[4-(trifluoromethoxy)phenyl]ethylamino]pyridazine-3-carbonitrile?
The InChIKey is SWQVRHWVUBPCSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4O/c1-9(19-13-7-4-11(8-18)20-21-13)10-2-5-12(6-3-10)22-14(15,16)17/h2-7,9H,1H3,(H,19,21).
What are the key properties of 6-[1-[4-(trifluoromethoxy)phenyl]ethylamino]pyridazine-3-carbonitrile?
6-[1-[4-(trifluoromethoxy)phenyl]ethylamino]pyridazine-3-carbonitrile has a molecular weight of 308.26 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-[4-(trifluoromethoxy)phenyl]ethylamino]pyridazine-3-carbonitrile is sourced from PubChem (CID 133418515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).