[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanamine;dihydrochloride

C7H10Cl2F3N3O — CID 122156807

IUPAC[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanamine;dihydrochloride
SMILESCl.Cl.NCc1ccc(OCC(F)(F)F)nn1
InChIInChI=1S/C7H8F3N3O.2ClH/c8-7(9,10)4-14-6-2-1-5(3-11)12-13-6;;/h1-2H,3-4,11H2;2*1H
InChIKeyQTSNFJSHKJTKNE-UHFFFAOYSA-N
MW280.08 g/mol
LogP1.72
Rot. Bonds3

About [6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanamine;dihydrochloride

[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanamine;dihydrochloride (PubChem CID 122156807) has the molecular formula C7H10Cl2F3N3O and a molecular weight of 280.08 g/mol. Its IUPAC name is [6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanamine;dihydrochloride.

Molecular Properties

Compound Name[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanamine;dihydrochloride
PubChem CID122156807
Molecular FormulaC7H10Cl2F3N3O
Molecular Weight280.08 g/mol
Exact Mass279.02
IUPAC Name[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanamine;dihydrochloride
SMILESCl.Cl.NCc1ccc(OCC(F)(F)F)nn1
InChIInChI=1S/C7H8F3N3O.2ClH/c8-7(9,10)4-14-6-2-1-5(3-11)12-13-6;;/h1-2H,3-4,11H2;2*1H
InChIKeyQTSNFJSHKJTKNE-UHFFFAOYSA-N
XLogP1.72
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.08
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(6-(2,2,2-Trifluoroethoxy)pyridazin-3-yl)methanol
CID 61256334
(6-Methoxypyridazin-3-yl)methanamine
CID 62292461
3-Methoxy-6-methylpyridazine
CID 303677
3-(Chloromethyl)-6-(2,2,2-trifluoroethoxy)pyridazine
CID 61257870
((6-Methoxypyridazin-3-yl)methyl)(methyl)amine
CID 62292086
(6-Methoxypyridazin-3-yl)methanamine dihydrochloride
CID 121552977
[6-Methoxy-5-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanamine
CID 58137371
3-Methoxy-6-(trifluoromethyl)pyridazine
CID 66486927
3-(6-Fluorohept-1-ynyl)-6-prop-2-enoxypyridazine
CID 67657677
3-(6-Fluorohept-1-enyl)-6-prop-2-enoxypyridazine
CID 67658231
3-(6-Fluoroheptyl)-6-prop-2-enoxypyridazine
CID 67815325
3-Piperidin-4-yloxy-6-(trifluoromethyl)pyridazine
CID 81837468

Frequently Asked Questions

What is the IUPAC name of [6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanamine;dihydrochloride?
The IUPAC name of [6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanamine;dihydrochloride (CID 122156807) is [6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanamine;dihydrochloride.
What is the SMILES notation for [6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanamine;dihydrochloride?
The canonical SMILES for [6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanamine;dihydrochloride is Cl.Cl.NCc1ccc(OCC(F)(F)F)nn1.
What is the InChIKey of [6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanamine;dihydrochloride?
The InChIKey is QTSNFJSHKJTKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3N3O.2ClH/c8-7(9,10)4-14-6-2-1-5(3-11)12-13-6;;/h1-2H,3-4,11H2;2*1H.
What are the key properties of [6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanamine;dihydrochloride?
[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanamine;dihydrochloride has a molecular weight of 280.08 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methanamine;dihydrochloride is sourced from PubChem (CID 122156807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).