(3-amino-6-cyclopropylpyrazin-2-yl) acetate

C9H11N3O2 — CID 174660670

IUPAC(3-amino-6-cyclopropylpyrazin-2-yl) acetate
SMILESCC(=O)Oc1nc(C2CC2)cnc1N
InChIInChI=1S/C9H11N3O2/c1-5(13)14-9-8(10)11-4-7(12-9)6-2-3-6/h4,6H,2-3H2,1H3,(H2,10,11)
InChIKeyCJVZXKWDHWVWHB-UHFFFAOYSA-N
MW193.21 g/mol
LogP0.86
Rot. Bonds2

About (3-amino-6-cyclopropylpyrazin-2-yl) acetate

(3-amino-6-cyclopropylpyrazin-2-yl) acetate (PubChem CID 174660670) has the molecular formula C9H11N3O2 and a molecular weight of 193.21 g/mol. Its IUPAC name is (3-amino-6-cyclopropylpyrazin-2-yl) acetate.

Molecular Properties

Compound Name(3-amino-6-cyclopropylpyrazin-2-yl) acetate
PubChem CID174660670
Molecular FormulaC9H11N3O2
Molecular Weight193.21 g/mol
Exact Mass193.09
IUPAC Name(3-amino-6-cyclopropylpyrazin-2-yl) acetate
SMILESCC(=O)Oc1nc(C2CC2)cnc1N
InChIInChI=1S/C9H11N3O2/c1-5(13)14-9-8(10)11-4-7(12-9)6-2-3-6/h4,6H,2-3H2,1H3,(H2,10,11)
InChIKeyCJVZXKWDHWVWHB-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 (3-amino-6-cyclopropylpyrazin-2-yl) acetate?
The IUPAC name of (3-amino-6-cyclopropylpyrazin-2-yl) acetate (CID 174660670) is (3-amino-6-cyclopropylpyrazin-2-yl) acetate.
What is the SMILES notation for (3-amino-6-cyclopropylpyrazin-2-yl) acetate?
The canonical SMILES for (3-amino-6-cyclopropylpyrazin-2-yl) acetate is CC(=O)Oc1nc(C2CC2)cnc1N.
What is the InChIKey of (3-amino-6-cyclopropylpyrazin-2-yl) acetate?
The InChIKey is CJVZXKWDHWVWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O2/c1-5(13)14-9-8(10)11-4-7(12-9)6-2-3-6/h4,6H,2-3H2,1H3,(H2,10,11).
What are the key properties of (3-amino-6-cyclopropylpyrazin-2-yl) acetate?
(3-amino-6-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 (3-amino-6-cyclopropylpyrazin-2-yl) acetate is sourced from PubChem (CID 174660670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).