ethane;2-ethyloxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine

C14H24F3N3O3 — CID 176953564

IUPACethane;2-ethyloxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
SMILESCC.CCC1OCCC(O)C1O.Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C7H14O3.C5H4F3N3.C2H6/c1-2-6-7(9)5(8)3-4-10-6;6-5(7,8)3-1-10-2-4(9)11-3;1-2/h5-9H,2-4H2,1H3;1-2H,(H2,9,11);1-2H3
InChIKeyUBXSRROCKUBKFH-UHFFFAOYSA-N
MW339.36 g/mol
LogP2.01
Rot. Bonds1

About ethane;2-ethyloxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine

ethane;2-ethyloxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine (PubChem CID 176953564) has the molecular formula C14H24F3N3O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is ethane;2-ethyloxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound Nameethane;2-ethyloxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
PubChem CID176953564
Molecular FormulaC14H24F3N3O3
Molecular Weight339.36 g/mol
Exact Mass339.18
IUPAC Nameethane;2-ethyloxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
SMILESCC.CCC1OCCC(O)C1O.Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C7H14O3.C5H4F3N3.C2H6/c1-2-6-7(9)5(8)3-4-10-6;6-5(7,8)3-1-10-2-4(9)11-3;1-2/h5-9H,2-4H2,1H3;1-2H,(H2,9,11);1-2H3
InChIKeyUBXSRROCKUBKFH-UHFFFAOYSA-N
XLogP2.01
TPSA101.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(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-(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
(2R,3R,4R,5S)-2-(propan-2-yloxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167447905
(2R,3R,4R,5R)-2-(methoxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167448058
Ethane;2-(hydroxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167448068
(2R,3R,4R,5S)-2-(propylaminomethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167448081
(2R,3R,4R,5S)-2-(methoxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167448126
(4R,5R,6R)-4,5-dihydroxy-6-(hydroxymethyl)-N-[6-(trifluoromethyl)pyrazin-2-yl]oxane-3-carbonitrilium
CID 167448132
(2R,3R,4R)-2-(propan-2-yloxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]iminomethyl]oxane-3,4-diol
CID 167448159

Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyloxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of ethane;2-ethyloxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine (CID 176953564) is ethane;2-ethyloxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for ethane;2-ethyloxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for ethane;2-ethyloxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine is CC.CCC1OCCC(O)C1O.Nc1cncc(C(F)(F)F)n1.
What is the InChIKey of ethane;2-ethyloxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is UBXSRROCKUBKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O3.C5H4F3N3.C2H6/c1-2-6-7(9)5(8)3-4-10-6;6-5(7,8)3-1-10-2-4(9)11-3;1-2/h5-9H,2-4H2,1H3;1-2H,(H2,9,11);1-2H3.
What are the key properties of ethane;2-ethyloxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
ethane;2-ethyloxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 339.36 g/mol, XLogP of 2.01, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyloxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 176953564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).