(5-amino-3-cyclopropylpyrazin-2-yl) acetate

C9H11N3O2 — CID 123646299

IUPAC(5-amino-3-cyclopropylpyrazin-2-yl) acetate
SMILESCC(=O)Oc1ncc(N)nc1C1CC1
InChIInChI=1S/C9H11N3O2/c1-5(13)14-9-8(6-2-3-6)12-7(10)4-11-9/h4,6H,2-3H2,1H3,(H2,10,12)
InChIKeyPOQYQRFDYBZFKI-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.86
Rot. Bonds2

About (5-amino-3-cyclopropylpyrazin-2-yl) acetate

(5-amino-3-cyclopropylpyrazin-2-yl) acetate (PubChem CID 123646299) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is (5-amino-3-cyclopropylpyrazin-2-yl) acetate.

Molecular Properties

Compound Name(5-amino-3-cyclopropylpyrazin-2-yl) acetate
PubChem CID123646299
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name(5-amino-3-cyclopropylpyrazin-2-yl) acetate
SMILESCC(=O)Oc1ncc(N)nc1C1CC1
InChIInChI=1S/C9H11N3O2/c1-5(13)14-9-8(6-2-3-6)12-7(10)4-11-9/h4,6H,2-3H2,1H3,(H2,10,12)
InChIKeyPOQYQRFDYBZFKI-UHFFFAOYSA-N
XLogP0.86
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-amino-3-cyclopropylpyrazin-2-yl) acetate?
The IUPAC name of (5-amino-3-cyclopropylpyrazin-2-yl) acetate (CID 123646299) is (5-amino-3-cyclopropylpyrazin-2-yl) acetate.
What is the SMILES notation for (5-amino-3-cyclopropylpyrazin-2-yl) acetate?
The canonical SMILES for (5-amino-3-cyclopropylpyrazin-2-yl) acetate is CC(=O)Oc1ncc(N)nc1C1CC1.
What is the InChIKey of (5-amino-3-cyclopropylpyrazin-2-yl) acetate?
The InChIKey is POQYQRFDYBZFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-5(13)14-9-8(6-2-3-6)12-7(10)4-11-9/h4,6H,2-3H2,1H3,(H2,10,12).
What are the key properties of (5-amino-3-cyclopropylpyrazin-2-yl) acetate?
(5-amino-3-cyclopropylpyrazin-2-yl) acetate has a molecular weight of 193.21 g/mol, XLogP of 0.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-3-cyclopropylpyrazin-2-yl) acetate is sourced from PubChem (CID 123646299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).