2-[prop-2-enyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethanol

C10H12F3N3O — CID 115875659

IUPAC2-[prop-2-enyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethanol
SMILESC=CCN(CCO)c1ccc(C(F)(F)F)nn1
InChIInChI=1S/C10H12F3N3O/c1-2-5-16(6-7-17)9-4-3-8(14-15-9)10(11,12)13/h2-4,17H,1,5-7H2
InChIKeyITPKAUATGHPXGP-UHFFFAOYSA-N
MW247.22 g/mol
LogP1.48
Rot. Bonds5

About 2-[prop-2-enyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethanol

2-[prop-2-enyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethanol (PubChem CID 115875659) has the molecular formula C10H12F3N3O and a molecular weight of 247.22 g/mol. Its IUPAC name is 2-[prop-2-enyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethanol.

Molecular Properties

Compound Name2-[prop-2-enyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethanol
PubChem CID115875659
Molecular FormulaC10H12F3N3O
Molecular Weight247.22 g/mol
Exact Mass247.09
IUPAC Name2-[prop-2-enyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethanol
SMILESC=CCN(CCO)c1ccc(C(F)(F)F)nn1
InChIInChI=1S/C10H12F3N3O/c1-2-5-16(6-7-17)9-4-3-8(14-15-9)10(11,12)13/h2-4,17H,1,5-7H2
InChIKeyITPKAUATGHPXGP-UHFFFAOYSA-N
XLogP1.48
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.22
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2,2,2-trifluoroethyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethanol
CID 107484538
2-[(5-methyl-2-pyridinyl)-prop-2-enylamino]ethanol
CID 115744703
(1R)-1-[6-[2-hydroxyethyl(prop-2-enyl)amino]-3-pyridinyl]ethanol
CID 104869570
2-[[5-nitro-2-(trifluoromethyl)-4-pyridinyl]-prop-2-enylamino]ethanol
CID 106750095
2-[[5-[(1S)-1-aminoethyl]-2-pyridinyl]-prop-2-enylamino]ethanol
CID 104869537
2-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]propan-1-ol
CID 115875730
2-[bis(2-hydroxyethyl)amino]-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79877516
N-(2-hydroxyethyl)-N-prop-2-enyl-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 115776316
(1S)-1-[4-[2-hydroxyethyl(prop-2-enyl)amino]phenyl]ethanol
CID 104869553
6-(aminomethyl)-N-(2-methoxyethyl)-N-prop-2-enylpyridazin-3-amine
CID 103340205
2-[(5-bromo-4-methyl-2-pyridinyl)-prop-2-enylamino]ethanol
CID 75496488
4-[methyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]butan-2-ol
CID 113337645

Frequently Asked Questions

What is the IUPAC name of 2-[prop-2-enyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethanol?
The IUPAC name of 2-[prop-2-enyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethanol (CID 115875659) is 2-[prop-2-enyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethanol.
What is the SMILES notation for 2-[prop-2-enyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethanol?
The canonical SMILES for 2-[prop-2-enyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethanol is C=CCN(CCO)c1ccc(C(F)(F)F)nn1.
What is the InChIKey of 2-[prop-2-enyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethanol?
The InChIKey is ITPKAUATGHPXGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N3O/c1-2-5-16(6-7-17)9-4-3-8(14-15-9)10(11,12)13/h2-4,17H,1,5-7H2.
What are the key properties of 2-[prop-2-enyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethanol?
2-[prop-2-enyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethanol has a molecular weight of 247.22 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[prop-2-enyl-[6-(trifluoromethyl)pyridazin-3-yl]amino]ethanol is sourced from PubChem (CID 115875659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).