N-(2-methoxyethyl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanamine

C11H18F3N5O — CID 64578297

IUPACN-(2-methoxyethyl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanamine
SMILESCOCCNCCN1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C11H18F3N5O/c1-20-7-3-15-2-4-18-5-6-19-9(8-18)16-17-10(19)11(12,13)14/h15H,2-8H2,1H3
InChIKeyFGULKHQJTIIMDI-UHFFFAOYSA-N
MW293.29 g/mol
LogP0.35
Rot. Bonds6

About N-(2-methoxyethyl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanamine

N-(2-methoxyethyl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanamine (PubChem CID 64578297) has the molecular formula C11H18F3N5O and a molecular weight of 293.29 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanamine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanamine
PubChem CID64578297
Molecular FormulaC11H18F3N5O
Molecular Weight293.29 g/mol
Exact Mass293.15
IUPAC NameN-(2-methoxyethyl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanamine
SMILESCOCCNCCN1CCn2c(nnc2C(F)(F)F)C1
InChIInChI=1S/C11H18F3N5O/c1-20-7-3-15-2-4-18-5-6-19-9(8-18)16-17-10(19)11(12,13)14/h15H,2-8H2,1H3
InChIKeyFGULKHQJTIIMDI-UHFFFAOYSA-N
XLogP0.35
TPSA55.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.29
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-(2-methoxyethyl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanamine?
The IUPAC name of N-(2-methoxyethyl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanamine (CID 64578297) is N-(2-methoxyethyl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanamine.
What is the SMILES notation for N-(2-methoxyethyl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanamine?
The canonical SMILES for N-(2-methoxyethyl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanamine is COCCNCCN1CCn2c(nnc2C(F)(F)F)C1.
What is the InChIKey of N-(2-methoxyethyl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanamine?
The InChIKey is FGULKHQJTIIMDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3N5O/c1-20-7-3-15-2-4-18-5-6-19-9(8-18)16-17-10(19)11(12,13)14/h15H,2-8H2,1H3.
What are the key properties of N-(2-methoxyethyl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanamine?
N-(2-methoxyethyl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanamine has a molecular weight of 293.29 g/mol, XLogP of 0.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethanamine is sourced from PubChem (CID 64578297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).