5-[(2S,3R,4R,5S)-4,5-dihydroxy-3-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]pyrazine-2-carboxylic acid

C15H14F3N5O5 — CID 171556597

About 5-[(2S,3R,4R,5S)-4,5-dihydroxy-3-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]pyrazine-2-carboxylic acid

5-[(2S,3R,4R,5S)-4,5-dihydroxy-3-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]pyrazine-2-carboxylic acid (PubChem CID 171556597) has the molecular formula C15H14F3N5O5 and a molecular weight of 401.30 g/mol. Its IUPAC name is 5-[(2S,3R,4R,5S)-4,5-dihydroxy-3-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]pyrazine-2-carboxylic acid.

Molecular Properties

• Compound Name: 5-[(2S,3R,4R,5S)-4,5-dihydroxy-3-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]pyrazine-2-carboxylic acid
• PubChem CID: 171556597
• Molecular Formula: C15H14F3N5O5
• Molecular Weight: 401.30 g/mol
• Exact Mass: 401.09
• IUPAC Name: 5-[(2S,3R,4R,5S)-4,5-dihydroxy-3-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]pyrazine-2-carboxylic acid
• SMILES: O=C(O)c1cnc([C@H]2OC[C@H](O)[C@H](O)[C@H]2Nc2cncc(C(F)(F)F)n2)cn1
• InChI: InChI=1S/C15H14F3N5O5/c16-15(17,18)9-3-19-4-10(22-9)23-11-12(25)8(24)5-28-13(11)6-1-21-7(2-20-6)14(26)27/h1-4,8,11-13,24-25H,5H2,(H,22,23)(H,26,27)/t8-,11+,12-,13+/m0/s1
• InChIKey: GNUYGUDOCGZQLZ-OQCKYNKVSA-N
• XLogP: 0.26
• TPSA: 150.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	401.30
LogP ≤ 5	0.26
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 5-[(2S,3R,4R,5S)-4,5-dihydroxy-3-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]pyrazine-2-carboxylic acid?

The IUPAC name of 5-[(2S,3R,4R,5S)-4,5-dihydroxy-3-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]pyrazine-2-carboxylic acid (CID 171556597) is 5-[(2S,3R,4R,5S)-4,5-dihydroxy-3-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]pyrazine-2-carboxylic acid.

What is the SMILES notation for 5-[(2S,3R,4R,5S)-4,5-dihydroxy-3-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]pyrazine-2-carboxylic acid?

The canonical SMILES for 5-[(2S,3R,4R,5S)-4,5-dihydroxy-3-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]pyrazine-2-carboxylic acid is O=C(O)c1cnc([C@H]2OC[C@H](O)[C@H](O)[C@H]2Nc2cncc(C(F)(F)F)n2)cn1.

What is the InChIKey of 5-[(2S,3R,4R,5S)-4,5-dihydroxy-3-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]pyrazine-2-carboxylic acid?

The InChIKey is GNUYGUDOCGZQLZ-OQCKYNKVSA-N. The full InChI is InChI=1S/C15H14F3N5O5/c16-15(17,18)9-3-19-4-10(22-9)23-11-12(25)8(24)5-28-13(11)6-1-21-7(2-20-6)14(26)27/h1-4,8,11-13,24-25H,5H2,(H,22,23)(H,26,27)/t8-,11+,12-,13+/m0/s1.

What are the key properties of 5-[(2S,3R,4R,5S)-4,5-dihydroxy-3-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]pyrazine-2-carboxylic acid?

5-[(2S,3R,4R,5S)-4,5-dihydroxy-3-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]pyrazine-2-carboxylic acid has a molecular weight of 401.30 g/mol, XLogP of 0.26, 4 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(2S,3R,4R,5S)-4,5-dihydroxy-3-[[6-(trifluoromethyl)pyrazin-2-yl]amino]oxan-2-yl]pyrazine-2-carboxylic acid is sourced from PubChem (CID 171556597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).