2-methoxyethanol;2-(methoxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine

C15H26F3N3O6 — CID 177015482

IUPAC2-methoxyethanol;2-(methoxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
SMILESCOCC1OCCC(O)C1O.COCCO.Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C7H14O4.C5H4F3N3.C3H8O2/c1-10-4-6-7(9)5(8)2-3-11-6;6-5(7,8)3-1-10-2-4(9)11-3;1-5-3-2-4/h5-9H,2-4H2,1H3;1-2H,(H2,9,11);4H,2-3H2,1H3
InChIKeyTXVXSQGLLRCAPS-UHFFFAOYSA-N
MW401.38 g/mol
LogP-0.15
Rot. Bonds4

About 2-methoxyethanol;2-(methoxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine

2-methoxyethanol;2-(methoxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine (PubChem CID 177015482) has the molecular formula C15H26F3N3O6 and a molecular weight of 401.38 g/mol. Its IUPAC name is 2-methoxyethanol;2-(methoxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound Name2-methoxyethanol;2-(methoxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
PubChem CID177015482
Molecular FormulaC15H26F3N3O6
Molecular Weight401.38 g/mol
Exact Mass401.18
IUPAC Name2-methoxyethanol;2-(methoxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
SMILESCOCC1OCCC(O)C1O.COCCO.Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C7H14O4.C5H4F3N3.C3H8O2/c1-10-4-6-7(9)5(8)2-3-11-6;6-5(7,8)3-1-10-2-4(9)11-3;1-5-3-2-4/h5-9H,2-4H2,1H3;1-2H,(H2,9,11);4H,2-3H2,1H3
InChIKeyTXVXSQGLLRCAPS-UHFFFAOYSA-N
XLogP-0.15
TPSA140.18 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.38
LogP ≤ 5-0.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Related Compounds

(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221665
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[5-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167408590
(2R,3R,4R,5R)-2-(hydroxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221498
(2R,3R,4R,5S)-2-(methylaminomethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221558
(2R,3R,4R,5S)-2-[(dimethylamino)methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221691
(2R,3R,4R,5S)-2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxymethyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221754
(2R,3R,4R,5S)-2-(hydroxymethyl)-5-[[3-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221767
(2R,3R,4R,5S)-2-(azidomethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221823
(2R,3R,4R,5S)-2-[[(3-methyloxetan-3-yl)amino]methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221838
(2R,3R,4R,5S)-2-(aminomethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221841
(2R,3R,4R)-2-(methylaminomethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]iminomethyl]oxane-3,4-diol
CID 167222175
(2R,3R,4R)-2-[(dimethylamino)methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]iminomethyl]oxane-3,4-diol
CID 167222182

Frequently Asked Questions

What is the IUPAC name of 2-methoxyethanol;2-(methoxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of 2-methoxyethanol;2-(methoxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine (CID 177015482) is 2-methoxyethanol;2-(methoxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for 2-methoxyethanol;2-(methoxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for 2-methoxyethanol;2-(methoxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine is COCC1OCCC(O)C1O.COCCO.Nc1cncc(C(F)(F)F)n1.
What is the InChIKey of 2-methoxyethanol;2-(methoxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is TXVXSQGLLRCAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O4.C5H4F3N3.C3H8O2/c1-10-4-6-7(9)5(8)2-3-11-6;6-5(7,8)3-1-10-2-4(9)11-3;1-5-3-2-4/h5-9H,2-4H2,1H3;1-2H,(H2,9,11);4H,2-3H2,1H3.
What are the key properties of 2-methoxyethanol;2-(methoxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
2-methoxyethanol;2-(methoxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 401.38 g/mol, XLogP of -0.15, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethanol;2-(methoxymethyl)oxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 177015482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).