N-[[4-[6-(trifluoromethyl)pyridazin-3-yl]morpholin-3-yl]methyl]ethanamine

C12H17F3N4O — CID 83105734

IUPACN-[[4-[6-(trifluoromethyl)pyridazin-3-yl]morpholin-3-yl]methyl]ethanamine
SMILESCCNCC1COCCN1c1ccc(C(F)(F)F)nn1
InChIInChI=1S/C12H17F3N4O/c1-2-16-7-9-8-20-6-5-19(9)11-4-3-10(17-18-11)12(13,14)15/h3-4,9,16H,2,5-8H2,1H3
InChIKeyNPCDLIZFSVVUMS-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.31
Rot. Bonds4

About N-[[4-[6-(trifluoromethyl)pyridazin-3-yl]morpholin-3-yl]methyl]ethanamine

N-[[4-[6-(trifluoromethyl)pyridazin-3-yl]morpholin-3-yl]methyl]ethanamine (PubChem CID 83105734) has the molecular formula C12H17F3N4O and a molecular weight of 290.29 g/mol. Its IUPAC name is N-[[4-[6-(trifluoromethyl)pyridazin-3-yl]morpholin-3-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[4-[6-(trifluoromethyl)pyridazin-3-yl]morpholin-3-yl]methyl]ethanamine
PubChem CID83105734
Molecular FormulaC12H17F3N4O
Molecular Weight290.29 g/mol
Exact Mass290.14
IUPAC NameN-[[4-[6-(trifluoromethyl)pyridazin-3-yl]morpholin-3-yl]methyl]ethanamine
SMILESCCNCC1COCCN1c1ccc(C(F)(F)F)nn1
InChIInChI=1S/C12H17F3N4O/c1-2-16-7-9-8-20-6-5-19(9)11-4-3-10(17-18-11)12(13,14)15/h3-4,9,16H,2,5-8H2,1H3
InChIKeyNPCDLIZFSVVUMS-UHFFFAOYSA-N
XLogP1.31
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[6-(trifluoromethyl)pyridazin-3-yl]morpholin-3-yl]methyl]ethanamine?
The IUPAC name of N-[[4-[6-(trifluoromethyl)pyridazin-3-yl]morpholin-3-yl]methyl]ethanamine (CID 83105734) is N-[[4-[6-(trifluoromethyl)pyridazin-3-yl]morpholin-3-yl]methyl]ethanamine.
What is the SMILES notation for N-[[4-[6-(trifluoromethyl)pyridazin-3-yl]morpholin-3-yl]methyl]ethanamine?
The canonical SMILES for N-[[4-[6-(trifluoromethyl)pyridazin-3-yl]morpholin-3-yl]methyl]ethanamine is CCNCC1COCCN1c1ccc(C(F)(F)F)nn1.
What is the InChIKey of N-[[4-[6-(trifluoromethyl)pyridazin-3-yl]morpholin-3-yl]methyl]ethanamine?
The InChIKey is NPCDLIZFSVVUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3N4O/c1-2-16-7-9-8-20-6-5-19(9)11-4-3-10(17-18-11)12(13,14)15/h3-4,9,16H,2,5-8H2,1H3.
What are the key properties of N-[[4-[6-(trifluoromethyl)pyridazin-3-yl]morpholin-3-yl]methyl]ethanamine?
N-[[4-[6-(trifluoromethyl)pyridazin-3-yl]morpholin-3-yl]methyl]ethanamine has a molecular weight of 290.29 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[6-(trifluoromethyl)pyridazin-3-yl]morpholin-3-yl]methyl]ethanamine is sourced from PubChem (CID 83105734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).