2-butan-2-yl-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol;methanol

C15H23F3N2O5 — CID 177015202

IUPAC2-butan-2-yl-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol;methanol
SMILESCCC(C)C1OCC(Oc2cncc(C(F)(F)F)n2)C(O)C1O.CO
InChIInChI=1S/C14H19F3N2O4.CH4O/c1-3-7(2)13-12(21)11(20)8(6-22-13)23-10-5-18-4-9(19-10)14(15,16)17;1-2/h4-5,7-8,11-13,20-21H,3,6H2,1-2H3;2H,1H3
InChIKeyOISHYOQLWHANHC-UHFFFAOYSA-N
MW368.35 g/mol
LogP1.02
Rot. Bonds4

About 2-butan-2-yl-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol;methanol

2-butan-2-yl-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol;methanol (PubChem CID 177015202) has the molecular formula C15H23F3N2O5 and a molecular weight of 368.35 g/mol. Its IUPAC name is 2-butan-2-yl-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol;methanol.

Molecular Properties

Compound Name2-butan-2-yl-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol;methanol
PubChem CID177015202
Molecular FormulaC15H23F3N2O5
Molecular Weight368.35 g/mol
Exact Mass368.16
IUPAC Name2-butan-2-yl-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol;methanol
SMILESCCC(C)C1OCC(Oc2cncc(C(F)(F)F)n2)C(O)C1O.CO
InChIInChI=1S/C14H19F3N2O4.CH4O/c1-3-7(2)13-12(21)11(20)8(6-22-13)23-10-5-18-4-9(19-10)14(15,16)17;1-2/h4-5,7-8,11-13,20-21H,3,6H2,1-2H3;2H,1H3
InChIKeyOISHYOQLWHANHC-UHFFFAOYSA-N
XLogP1.02
TPSA104.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.35
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-butan-2-yl-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol;methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3R,4S,5S)-2-(hydroxymethyl)-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol
CID 171556571
(2R,3R,4S,5S)-2-propyl-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol
CID 171556703
(2R,3R,4S,5S)-2-propan-2-yl-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol
CID 171557582
2-Methyl-6-(trifluoromethyl)pyrazine;2-propan-2-yloxane-3,4-diol
CID 171557584
(2R,3R,4S,5R,6R)-2-methyl-6-(pyrazin-2-yloxymethyl)-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol
CID 171558456
[(3aS,4R,6R,7S,7aR)-2,2,4-trimethyl-7-[6-(trifluoromethyl)pyrazin-2-yl]oxy-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyran-6-yl]methanol
CID 171558669
(2R,3R,4S,5S)-2-(2-methylpropyl)-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol
CID 171558692
(2R,3R,4S,5R,6R)-6-(hydroxymethyl)-2-methyl-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol
CID 171558767
2-Propan-2-yl-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol
CID 176953258
(2R,3R,4S)-2-methyl-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol
CID 176953451
2-Butan-2-yl-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol
CID 176953573
CID 177015237
CID 177015237

Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol;methanol?
The IUPAC name of 2-butan-2-yl-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol;methanol (CID 177015202) is 2-butan-2-yl-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol;methanol.
What is the SMILES notation for 2-butan-2-yl-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol;methanol?
The canonical SMILES for 2-butan-2-yl-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol;methanol is CCC(C)C1OCC(Oc2cncc(C(F)(F)F)n2)C(O)C1O.CO.
What is the InChIKey of 2-butan-2-yl-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol;methanol?
The InChIKey is OISHYOQLWHANHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O4.CH4O/c1-3-7(2)13-12(21)11(20)8(6-22-13)23-10-5-18-4-9(19-10)14(15,16)17;1-2/h4-5,7-8,11-13,20-21H,3,6H2,1-2H3;2H,1H3.
What are the key properties of 2-butan-2-yl-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol;methanol?
2-butan-2-yl-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol;methanol has a molecular weight of 368.35 g/mol, XLogP of 1.02, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol;methanol is sourced from PubChem (CID 177015202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).