2-methyl-6-(trifluoromethyl)pyrazine;2-propan-2-yloxane-3,4-diol

C14H21F3N2O3 — CID 171557584

IUPAC2-methyl-6-(trifluoromethyl)pyrazine;2-propan-2-yloxane-3,4-diol
SMILESCC(C)C1OCCC(O)C1O.Cc1cncc(C(F)(F)F)n1
InChIInChI=1S/C8H16O3.C6H5F3N2/c1-5(2)8-7(10)6(9)3-4-11-8;1-4-2-10-3-5(11-4)6(7,8)9/h5-10H,3-4H2,1-2H3;2-3H,1H3
InChIKeyTYDKYILYEALOAB-UHFFFAOYSA-N
MW322.33 g/mol
LogP1.96
Rot. Bonds1

About 2-methyl-6-(trifluoromethyl)pyrazine;2-propan-2-yloxane-3,4-diol

2-methyl-6-(trifluoromethyl)pyrazine;2-propan-2-yloxane-3,4-diol (PubChem CID 171557584) has the molecular formula C14H21F3N2O3 and a molecular weight of 322.33 g/mol. Its IUPAC name is 2-methyl-6-(trifluoromethyl)pyrazine;2-propan-2-yloxane-3,4-diol.

Molecular Properties

Compound Name2-methyl-6-(trifluoromethyl)pyrazine;2-propan-2-yloxane-3,4-diol
PubChem CID171557584
Molecular FormulaC14H21F3N2O3
Molecular Weight322.33 g/mol
Exact Mass322.15
IUPAC Name2-methyl-6-(trifluoromethyl)pyrazine;2-propan-2-yloxane-3,4-diol
SMILESCC(C)C1OCCC(O)C1O.Cc1cncc(C(F)(F)F)n1
InChIInChI=1S/C8H16O3.C6H5F3N2/c1-5(2)8-7(10)6(9)3-4-11-8;1-4-2-10-3-5(11-4)6(7,8)9/h5-10H,3-4H2,1-2H3;2-3H,1H3
InChIKeyTYDKYILYEALOAB-UHFFFAOYSA-N
XLogP1.96
TPSA75.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-methyl-6-(trifluoromethyl)pyrazine;2-propan-2-yloxane-3,4-diol 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,4R)-2-(propan-2-yloxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]iminomethyl]oxane-3,4-diol
CID 167448159
2-(Hydroxymethyl)oxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine
CID 171556621
Ethane;6-methyloxane-3,4-diol;2-methyl-6-(trifluoromethyl)pyrazine
CID 171557150
(2R,3R,4S,5S)-2-propan-2-yl-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol
CID 171557582
Ethane;2-ethyloxane-3,4-diol;[6-(trifluoromethyl)pyrazin-2-yl] thiohypofluorite
CID 171558295
(2R,3R,4S,5S)-2-(2-methylpropyl)-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol
CID 171558692
2-Methyl-6-(trifluoromethyl)pyrazine;2-propyloxane-3,4-diol
CID 171558839
(2R,3R,4R,5S)-2-(2-methylpropyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol
CID 171558885
2-Propan-2-yl-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol
CID 176953258
2-Butan-2-yl-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol
CID 176953573
2-Butan-2-yl-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol;methanol
CID 177015202
Methanol;2-propan-2-yl-5-[6-(trifluoromethyl)pyrazin-2-yl]oxyoxane-3,4-diol
CID 177015264

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(trifluoromethyl)pyrazine;2-propan-2-yloxane-3,4-diol?
The IUPAC name of 2-methyl-6-(trifluoromethyl)pyrazine;2-propan-2-yloxane-3,4-diol (CID 171557584) is 2-methyl-6-(trifluoromethyl)pyrazine;2-propan-2-yloxane-3,4-diol.
What is the SMILES notation for 2-methyl-6-(trifluoromethyl)pyrazine;2-propan-2-yloxane-3,4-diol?
The canonical SMILES for 2-methyl-6-(trifluoromethyl)pyrazine;2-propan-2-yloxane-3,4-diol is CC(C)C1OCCC(O)C1O.Cc1cncc(C(F)(F)F)n1.
What is the InChIKey of 2-methyl-6-(trifluoromethyl)pyrazine;2-propan-2-yloxane-3,4-diol?
The InChIKey is TYDKYILYEALOAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O3.C6H5F3N2/c1-5(2)8-7(10)6(9)3-4-11-8;1-4-2-10-3-5(11-4)6(7,8)9/h5-10H,3-4H2,1-2H3;2-3H,1H3.
What are the key properties of 2-methyl-6-(trifluoromethyl)pyrazine;2-propan-2-yloxane-3,4-diol?
2-methyl-6-(trifluoromethyl)pyrazine;2-propan-2-yloxane-3,4-diol has a molecular weight of 322.33 g/mol, XLogP of 1.96, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(trifluoromethyl)pyrazine;2-propan-2-yloxane-3,4-diol is sourced from PubChem (CID 171557584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).