5-Aminopyrazine-2-carboxylic acid ethyl ester

C₇H₉N₃O₂CAS 54013-06-8167.17 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₇H₉N₃O₂
Molar mass: 167.17 g/mol
Exact mass: 167.0695 Da
Melting point: 174–175 °C
logP: 0.24Crippen estimate
Polar surface area: 78.1 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 2

Identifiers

CAS number

54013-06-8

SMILES

CCOC(=O)c1cnc(N)cn1

InChIKey

BLPDHDYKCBRILY-UHFFFAOYSA-N

InChI

InChI=1S/C7H9N3O2/c1-2-12-7(11)5-3-10-6(8)4-9-5/h3-4H,2H2,1H3,(H2,8,10)

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Names and synonyms

4 names

2-Pyrazinecarboxylic acid, 5-amino-, ethyl ester
Pyrazinecarboxylic acid, 5-amino-, ethyl ester
Ethyl 5-aminopyrazine-2-carboxylate
2-Amino-5-ethoxycarbonylpyrazine

Work with 5-Aminopyrazine-2-carboxylic acid ethyl ester

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Ethyl 5-amino-1H-pyrazole-3-carboxylate105434-90-050 % similar Ethyl 2-amino-1,3-oxazole-5-carboxylate113853-16-050 % similar Diethyl 2,6-pyridinedicarboxylate15658-60-350 % similar Ethyl oxazole-4-carboxylate23012-14-850 % similar Ethyl 2-pyridinecarboxylate2524-52-950 % similar Diethyl 2,4-pyridinedicarboxylate41438-38-448 % similar 2-Chloro-5-(ethoxycarbonyl)pyrimidine89793-12-448 % similar 5,5′-Diethyl [2,2′-bipyridine]-5,5′-dicarboxylate1762-46-546 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

3-Amino-4-hydroxybenzoic acid hydrazide7450-57-9

Elsewhere

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