1-(3-methylpyrazin-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine

C11H16F3N3O — CID 102612559

IUPAC1-(3-methylpyrazin-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESCc1nccnc1C(C)NCCOCC(F)(F)F
InChIInChI=1S/C11H16F3N3O/c1-8-10(17-4-3-15-8)9(2)16-5-6-18-7-11(12,13)14/h3-4,9,16H,5-7H2,1-2H3
InChIKeyXRYVHVRRUNZSLW-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.01
Rot. Bonds6

About 1-(3-methylpyrazin-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine

1-(3-methylpyrazin-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (PubChem CID 102612559) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 1-(3-methylpyrazin-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.

Molecular Properties

Compound Name1-(3-methylpyrazin-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
PubChem CID102612559
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name1-(3-methylpyrazin-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine
SMILESCc1nccnc1C(C)NCCOCC(F)(F)F
InChIInChI=1S/C11H16F3N3O/c1-8-10(17-4-3-15-8)9(2)16-5-6-18-7-11(12,13)14/h3-4,9,16H,5-7H2,1-2H3
InChIKeyXRYVHVRRUNZSLW-UHFFFAOYSA-N
XLogP2.01
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.01
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 1-(3-methylpyrazin-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The IUPAC name of 1-(3-methylpyrazin-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine (CID 102612559) is 1-(3-methylpyrazin-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine.
What is the SMILES notation for 1-(3-methylpyrazin-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The canonical SMILES for 1-(3-methylpyrazin-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is Cc1nccnc1C(C)NCCOCC(F)(F)F.
What is the InChIKey of 1-(3-methylpyrazin-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
The InChIKey is XRYVHVRRUNZSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-8-10(17-4-3-15-8)9(2)16-5-6-18-7-11(12,13)14/h3-4,9,16H,5-7H2,1-2H3.
What are the key properties of 1-(3-methylpyrazin-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine?
1-(3-methylpyrazin-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine has a molecular weight of 263.26 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylpyrazin-2-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]ethanamine is sourced from PubChem (CID 102612559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).