(2R,3R,4R)-2-(hydroxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol

C12H15F3N2O4 — CID 171557894

IUPAC(2R,3R,4R)-2-(hydroxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol
SMILESOC[C@H]1OCC(Cc2cncc(C(F)(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H15F3N2O4/c13-12(14,15)9-3-16-2-7(17-9)1-6-5-21-8(4-18)11(20)10(6)19/h2-3,6,8,10-11,18-20H,1,4-5H2/t6?,8-,10-,11+/m1/s1
InChIKeyXGNRYZOOKAQWKR-GAWWMAGJSA-N
MW308.26 g/mol
LogP-0.23
Rot. Bonds3

About (2R,3R,4R)-2-(hydroxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol

(2R,3R,4R)-2-(hydroxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol (PubChem CID 171557894) has the molecular formula C12H15F3N2O4 and a molecular weight of 308.26 g/mol. Its IUPAC name is (2R,3R,4R)-2-(hydroxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol.

Molecular Properties

Compound Name(2R,3R,4R)-2-(hydroxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol
PubChem CID171557894
Molecular FormulaC12H15F3N2O4
Molecular Weight308.26 g/mol
Exact Mass308.10
IUPAC Name(2R,3R,4R)-2-(hydroxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol
SMILESOC[C@H]1OCC(Cc2cncc(C(F)(F)F)n2)[C@@H](O)[C@H]1O
InChIInChI=1S/C12H15F3N2O4/c13-12(14,15)9-3-16-2-7(17-9)1-6-5-21-8(4-18)11(20)10(6)19/h2-3,6,8,10-11,18-20H,1,4-5H2/t6?,8-,10-,11+/m1/s1
InChIKeyXGNRYZOOKAQWKR-GAWWMAGJSA-N
XLogP-0.23
TPSA95.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 5-0.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze (2R,3R,4R)-2-(hydroxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-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

(3S)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol
CID 58326414
(1S)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol
CID 59351195
cis-(1R,3S)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol
CID 59351280
(1R)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol
CID 59351381
3-(3-Fluoropyrazin-2-yl)cyclohexan-1-ol
CID 59351403
(Rac)-trans-3-(3-fluoropyrazin-2-yl)cyclohexanol
CID 59351407
trans-(1R,3R)-3-(3-fluoropyrazin-2-yl)cyclohexan-1-ol
CID 66986416
(Rac)-cis-3-(3-fluoropyrazin-2-yl)cyclohexanol
CID 66986535
(1R,2S,4S)-2-fluoro-4-pyrazin-2-ylcyclohexan-1-ol
CID 140311739
(1S,2R,4S)-2-fluoro-4-pyrazin-2-ylcyclohexan-1-ol
CID 140311768
(1S,2S,4S)-2-fluoro-4-pyrazin-2-ylcyclohexan-1-ol
CID 140311784
(1S,2R,4R)-2-fluoro-4-pyrazin-2-ylcyclohexan-1-ol
CID 140311793

Frequently Asked Questions

What is the IUPAC name of (2R,3R,4R)-2-(hydroxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol?
The IUPAC name of (2R,3R,4R)-2-(hydroxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol (CID 171557894) is (2R,3R,4R)-2-(hydroxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol.
What is the SMILES notation for (2R,3R,4R)-2-(hydroxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol?
The canonical SMILES for (2R,3R,4R)-2-(hydroxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol is OC[C@H]1OCC(Cc2cncc(C(F)(F)F)n2)[C@@H](O)[C@H]1O.
What is the InChIKey of (2R,3R,4R)-2-(hydroxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol?
The InChIKey is XGNRYZOOKAQWKR-GAWWMAGJSA-N. The full InChI is InChI=1S/C12H15F3N2O4/c13-12(14,15)9-3-16-2-7(17-9)1-6-5-21-8(4-18)11(20)10(6)19/h2-3,6,8,10-11,18-20H,1,4-5H2/t6?,8-,10-,11+/m1/s1.
What are the key properties of (2R,3R,4R)-2-(hydroxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol?
(2R,3R,4R)-2-(hydroxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol has a molecular weight of 308.26 g/mol, XLogP of -0.23, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R,4R)-2-(hydroxymethyl)-5-[[6-(trifluoromethyl)pyrazin-2-yl]methyl]oxane-3,4-diol is sourced from PubChem (CID 171557894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).