(5-aminopyrazin-2-yl)methyl acetate

C7H9N3O2 — CID 11457896

IUPAC(5-aminopyrazin-2-yl)methyl acetate
SMILESCC(=O)OCc1cnc(N)cn1
InChIInChI=1S/C7H9N3O2/c1-5(11)12-4-6-2-10-7(8)3-9-6/h2-3H,4H2,1H3,(H2,8,10)
InChIKeyDKWZYQPBQOMLKX-UHFFFAOYSA-N
MW167.17 g/mol
LogP0.12
Rot. Bonds2

About (5-aminopyrazin-2-yl)methyl acetate

(5-aminopyrazin-2-yl)methyl acetate (PubChem CID 11457896) has the molecular formula C7H9N3O2 and a molecular weight of 167.17 g/mol. Its IUPAC name is (5-aminopyrazin-2-yl)methyl acetate.

Molecular Properties

Compound Name(5-aminopyrazin-2-yl)methyl acetate
PubChem CID11457896
Molecular FormulaC7H9N3O2
Molecular Weight167.17 g/mol
Exact Mass167.07
IUPAC Name(5-aminopyrazin-2-yl)methyl acetate
SMILESCC(=O)OCc1cnc(N)cn1
InChIInChI=1S/C7H9N3O2/c1-5(11)12-4-6-2-10-7(8)3-9-6/h2-3H,4H2,1H3,(H2,8,10)
InChIKeyDKWZYQPBQOMLKX-UHFFFAOYSA-N
XLogP0.12
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-aminopyrazin-2-yl)methyl acetate?
The IUPAC name of (5-aminopyrazin-2-yl)methyl acetate (CID 11457896) is (5-aminopyrazin-2-yl)methyl acetate.
What is the SMILES notation for (5-aminopyrazin-2-yl)methyl acetate?
The canonical SMILES for (5-aminopyrazin-2-yl)methyl acetate is CC(=O)OCc1cnc(N)cn1.
What is the InChIKey of (5-aminopyrazin-2-yl)methyl acetate?
The InChIKey is DKWZYQPBQOMLKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3O2/c1-5(11)12-4-6-2-10-7(8)3-9-6/h2-3H,4H2,1H3,(H2,8,10).
What are the key properties of (5-aminopyrazin-2-yl)methyl acetate?
(5-aminopyrazin-2-yl)methyl acetate has a molecular weight of 167.17 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-aminopyrazin-2-yl)methyl acetate is sourced from PubChem (CID 11457896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).