(2-amino-2-oxo-1-pyrazin-2-ylethyl) acetate

C8H9N3O3 — CID 164900851

IUPAC(2-amino-2-oxo-1-pyrazin-2-ylethyl) acetate
SMILESCC(=O)OC(C(N)=O)c1cnccn1
InChIInChI=1S/C8H9N3O3/c1-5(12)14-7(8(9)13)6-4-10-2-3-11-6/h2-4,7H,1H3,(H2,9,13)
InChIKeyIKQUDVQGNVOWRP-UHFFFAOYSA-N
MW195.18 g/mol
LogP-0.43
Rot. Bonds3

About (2-amino-2-oxo-1-pyrazin-2-ylethyl) acetate

(2-amino-2-oxo-1-pyrazin-2-ylethyl) acetate (PubChem CID 164900851) has the molecular formula C8H9N3O3 and a molecular weight of 195.18 g/mol. Its IUPAC name is (2-amino-2-oxo-1-pyrazin-2-ylethyl) acetate.

Molecular Properties

Compound Name(2-amino-2-oxo-1-pyrazin-2-ylethyl) acetate
PubChem CID164900851
Molecular FormulaC8H9N3O3
Molecular Weight195.18 g/mol
Exact Mass195.06
IUPAC Name(2-amino-2-oxo-1-pyrazin-2-ylethyl) acetate
SMILESCC(=O)OC(C(N)=O)c1cnccn1
InChIInChI=1S/C8H9N3O3/c1-5(12)14-7(8(9)13)6-4-10-2-3-11-6/h2-4,7H,1H3,(H2,9,13)
InChIKeyIKQUDVQGNVOWRP-UHFFFAOYSA-N
XLogP-0.43
TPSA95.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.18
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-pyrazin-2-ylpropanamide
CID 21413230
(2S)-2-cyano-2-pyrazin-2-ylacetamide
CID 94065516
acetamide;pyrazin-2-amine
CID 175290934
2-(dimethylamino)-2-pyrazin-2-ylacetic acid
CID 82408477
(2R)-2-(pyrazin-2-ylamino)propanamide
CID 93037330
2-(1-ethoxyethyl)pyrazine
CID 71406239
(2-oxo-2-phenyl-1-pyridin-2-ylethyl) acetate
CID 11780090
2-amino-N-methyl-N-[(1R)-1-pyrazin-2-ylethyl]acetamide
CID 96555406
1-[3-(1-pyrazin-2-ylethoxy)phenyl]ethanone
CID 117051942
[(E)-pyrazin-2-ylmethylideneamino] acetate
CID 87078918
(3-methyl-1-pyrazin-2-ylbut-2-enyl)hydrazine
CID 105203497
1-pyrazin-2-ylethylphosphane
CID 59073972

Frequently Asked Questions

What is the IUPAC name of (2-amino-2-oxo-1-pyrazin-2-ylethyl) acetate?
The IUPAC name of (2-amino-2-oxo-1-pyrazin-2-ylethyl) acetate (CID 164900851) is (2-amino-2-oxo-1-pyrazin-2-ylethyl) acetate.
What is the SMILES notation for (2-amino-2-oxo-1-pyrazin-2-ylethyl) acetate?
The canonical SMILES for (2-amino-2-oxo-1-pyrazin-2-ylethyl) acetate is CC(=O)OC(C(N)=O)c1cnccn1.
What is the InChIKey of (2-amino-2-oxo-1-pyrazin-2-ylethyl) acetate?
The InChIKey is IKQUDVQGNVOWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O3/c1-5(12)14-7(8(9)13)6-4-10-2-3-11-6/h2-4,7H,1H3,(H2,9,13).
What are the key properties of (2-amino-2-oxo-1-pyrazin-2-ylethyl) acetate?
(2-amino-2-oxo-1-pyrazin-2-ylethyl) acetate has a molecular weight of 195.18 g/mol, XLogP of -0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-2-oxo-1-pyrazin-2-ylethyl) acetate is sourced from PubChem (CID 164900851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).