(3S)-3-pyrazin-2-yl-1,2-oxazolidine;2,2,2-trifluoroacetic acid

C9H10F3N3O3 — CID 175877546

IUPAC(3S)-3-pyrazin-2-yl-1,2-oxazolidine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1cnc([C@@H]2CCON2)cn1
InChIInChI=1S/C7H9N3O.C2HF3O2/c1-4-11-10-6(1)7-5-8-2-3-9-7;3-2(4,5)1(6)7/h2-3,5-6,10H,1,4H2;(H,6,7)/t6-;/m0./s1
InChIKeyMHHHEQUAEWZMEY-RGMNGODLSA-N
MW265.19 g/mol
LogP1.08
Rot. Bonds1

About (3S)-3-pyrazin-2-yl-1,2-oxazolidine;2,2,2-trifluoroacetic acid

(3S)-3-pyrazin-2-yl-1,2-oxazolidine;2,2,2-trifluoroacetic acid (PubChem CID 175877546) has the molecular formula C9H10F3N3O3 and a molecular weight of 265.19 g/mol. Its IUPAC name is (3S)-3-pyrazin-2-yl-1,2-oxazolidine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(3S)-3-pyrazin-2-yl-1,2-oxazolidine;2,2,2-trifluoroacetic acid
PubChem CID175877546
Molecular FormulaC9H10F3N3O3
Molecular Weight265.19 g/mol
Exact Mass265.07
IUPAC Name(3S)-3-pyrazin-2-yl-1,2-oxazolidine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1cnc([C@@H]2CCON2)cn1
InChIInChI=1S/C7H9N3O.C2HF3O2/c1-4-11-10-6(1)7-5-8-2-3-9-7;3-2(4,5)1(6)7/h2-3,5-6,10H,1,4H2;(H,6,7)/t6-;/m0./s1
InChIKeyMHHHEQUAEWZMEY-RGMNGODLSA-N
XLogP1.08
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.19
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-pyrazin-2-yl-1,2-oxazolidine;2,2,2-trifluoroacetic acid?
The IUPAC name of (3S)-3-pyrazin-2-yl-1,2-oxazolidine;2,2,2-trifluoroacetic acid (CID 175877546) is (3S)-3-pyrazin-2-yl-1,2-oxazolidine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (3S)-3-pyrazin-2-yl-1,2-oxazolidine;2,2,2-trifluoroacetic acid?
The canonical SMILES for (3S)-3-pyrazin-2-yl-1,2-oxazolidine;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1cnc([C@@H]2CCON2)cn1.
What is the InChIKey of (3S)-3-pyrazin-2-yl-1,2-oxazolidine;2,2,2-trifluoroacetic acid?
The InChIKey is MHHHEQUAEWZMEY-RGMNGODLSA-N. The full InChI is InChI=1S/C7H9N3O.C2HF3O2/c1-4-11-10-6(1)7-5-8-2-3-9-7;3-2(4,5)1(6)7/h2-3,5-6,10H,1,4H2;(H,6,7)/t6-;/m0./s1.
What are the key properties of (3S)-3-pyrazin-2-yl-1,2-oxazolidine;2,2,2-trifluoroacetic acid?
(3S)-3-pyrazin-2-yl-1,2-oxazolidine;2,2,2-trifluoroacetic acid has a molecular weight of 265.19 g/mol, XLogP of 1.08, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-pyrazin-2-yl-1,2-oxazolidine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175877546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).