(5-aminopyrazin-2-yl)methyl acetate;2,2,2-trifluoroacetic acid

C9H10F3N3O4 — CID 67955495

IUPAC(5-aminopyrazin-2-yl)methyl acetate;2,2,2-trifluoroacetic acid
SMILESCC(=O)OCc1cnc(N)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H9N3O2.C2HF3O2/c1-5(11)12-4-6-2-10-7(8)3-9-6;3-2(4,5)1(6)7/h2-3H,4H2,1H3,(H2,8,10);(H,6,7)
InChIKeyDNQSGKDYKHSRAW-UHFFFAOYSA-N
MW281.19 g/mol
LogP0.76
Rot. Bonds2

About (5-aminopyrazin-2-yl)methyl acetate;2,2,2-trifluoroacetic acid

(5-aminopyrazin-2-yl)methyl acetate;2,2,2-trifluoroacetic acid (PubChem CID 67955495) has the molecular formula C9H10F3N3O4 and a molecular weight of 281.19 g/mol. Its IUPAC name is (5-aminopyrazin-2-yl)methyl acetate;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name(5-aminopyrazin-2-yl)methyl acetate;2,2,2-trifluoroacetic acid
PubChem CID67955495
Molecular FormulaC9H10F3N3O4
Molecular Weight281.19 g/mol
Exact Mass281.06
IUPAC Name(5-aminopyrazin-2-yl)methyl acetate;2,2,2-trifluoroacetic acid
SMILESCC(=O)OCc1cnc(N)cn1.O=C(O)C(F)(F)F
InChIInChI=1S/C7H9N3O2.C2HF3O2/c1-5(11)12-4-6-2-10-7(8)3-9-6;3-2(4,5)1(6)7/h2-3H,4H2,1H3,(H2,8,10);(H,6,7)
InChIKeyDNQSGKDYKHSRAW-UHFFFAOYSA-N
XLogP0.76
TPSA115.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.19
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5-aminopyrazin-2-yl)methyl acetate;2,2,2-trifluoroacetic acid?
The IUPAC name of (5-aminopyrazin-2-yl)methyl acetate;2,2,2-trifluoroacetic acid (CID 67955495) is (5-aminopyrazin-2-yl)methyl acetate;2,2,2-trifluoroacetic acid.
What is the SMILES notation for (5-aminopyrazin-2-yl)methyl acetate;2,2,2-trifluoroacetic acid?
The canonical SMILES for (5-aminopyrazin-2-yl)methyl acetate;2,2,2-trifluoroacetic acid is CC(=O)OCc1cnc(N)cn1.O=C(O)C(F)(F)F.
What is the InChIKey of (5-aminopyrazin-2-yl)methyl acetate;2,2,2-trifluoroacetic acid?
The InChIKey is DNQSGKDYKHSRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2.C2HF3O2/c1-5(11)12-4-6-2-10-7(8)3-9-6;3-2(4,5)1(6)7/h2-3H,4H2,1H3,(H2,8,10);(H,6,7).
What are the key properties of (5-aminopyrazin-2-yl)methyl acetate;2,2,2-trifluoroacetic acid?
(5-aminopyrazin-2-yl)methyl acetate;2,2,2-trifluoroacetic acid has a molecular weight of 281.19 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-aminopyrazin-2-yl)methyl acetate;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 67955495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).