N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]propan-1-amine

C10H14F3N3O — CID 62291368

IUPACN-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCC(F)(F)F)nn1
InChIInChI=1S/C10H14F3N3O/c1-2-5-14-6-8-3-4-9(16-15-8)17-7-10(11,12)13/h3-4,14H,2,5-7H2,1H3
InChIKeyWSDYBDRYQDCIQH-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.92
Rot. Bonds6

About N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]propan-1-amine

N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]propan-1-amine (PubChem CID 62291368) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]propan-1-amine
PubChem CID62291368
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC NameN-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]propan-1-amine
SMILESCCCNCc1ccc(OCC(F)(F)F)nn1
InChIInChI=1S/C10H14F3N3O/c1-2-5-14-6-8-3-4-9(16-15-8)17-7-10(11,12)13/h3-4,14H,2,5-7H2,1H3
InChIKeyWSDYBDRYQDCIQH-UHFFFAOYSA-N
XLogP1.92
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]propan-1-amine?
The IUPAC name of N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]propan-1-amine (CID 62291368) is N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]propan-1-amine is CCCNCc1ccc(OCC(F)(F)F)nn1.
What is the InChIKey of N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]propan-1-amine?
The InChIKey is WSDYBDRYQDCIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-2-5-14-6-8-3-4-9(16-15-8)17-7-10(11,12)13/h3-4,14H,2,5-7H2,1H3.
What are the key properties of N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]propan-1-amine?
N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]propan-1-amine has a molecular weight of 249.24 g/mol, XLogP of 1.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2,2,2-trifluoroethoxy)pyridazin-3-yl]methyl]propan-1-amine is sourced from PubChem (CID 62291368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).