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

C11H16F3N3O3 — CID 171558763

IUPAC2-methyloxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
SMILESCC1OCCC(O)C1O.Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C6H12O3.C5H4F3N3/c1-4-6(8)5(7)2-3-9-4;6-5(7,8)3-1-10-2-4(9)11-3/h4-8H,2-3H2,1H3;1-2H,(H2,9,11)
InChIKeyVNXJEYIVIJTSLF-UHFFFAOYSA-N
MW295.26 g/mol
LogP0.59
Rot. Bonds

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

2-methyloxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine (PubChem CID 171558763) has the molecular formula C11H16F3N3O3 and a molecular weight of 295.26 g/mol. Its IUPAC name is 2-methyloxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine.

Molecular Properties

Compound Name2-methyloxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
PubChem CID171558763
Molecular FormulaC11H16F3N3O3
Molecular Weight295.26 g/mol
Exact Mass295.11
IUPAC Name2-methyloxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine
SMILESCC1OCCC(O)C1O.Nc1cncc(C(F)(F)F)n1
InChIInChI=1S/C6H12O3.C5H4F3N3/c1-4-6(8)5(7)2-3-9-4;6-5(7,8)3-1-10-2-4(9)11-3/h4-8H,2-3H2,1H3;1-2H,(H2,9,11)
InChIKeyVNXJEYIVIJTSLF-UHFFFAOYSA-N
XLogP0.59
TPSA101.49 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 50.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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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-(pyrrolidin-1-ylmethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221555
(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-(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,5S)-2-[(4-methylpiperazin-1-yl)methyl]-5-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxane-3,4-diol
CID 167221991
(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-methyloxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
The IUPAC name of 2-methyloxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine (CID 171558763) is 2-methyloxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine.
What is the SMILES notation for 2-methyloxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
The canonical SMILES for 2-methyloxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine is CC1OCCC(O)C1O.Nc1cncc(C(F)(F)F)n1.
What is the InChIKey of 2-methyloxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
The InChIKey is VNXJEYIVIJTSLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O3.C5H4F3N3/c1-4-6(8)5(7)2-3-9-4;6-5(7,8)3-1-10-2-4(9)11-3/h4-8H,2-3H2,1H3;1-2H,(H2,9,11).
What are the key properties of 2-methyloxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine?
2-methyloxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine has a molecular weight of 295.26 g/mol, XLogP of 0.59, 0 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyloxane-3,4-diol;6-(trifluoromethyl)pyrazin-2-amine is sourced from PubChem (CID 171558763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).