5-Aminopyrazine-2-carboxylic acid ethyl ester

C7H9N3O2CAS 54013-06-8167.17 g/mol

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OONNH2N
EsterPrimary 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 Ų
H-bond donors / acceptors
1 / 5
Rotatable bonds
2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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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

5-Aminopyrazine-2-carboxylic acid methyl ester13924-94-264 % similar Ethyl 6-aminonicotinate39658-41-862 % similar 6-Aminopyridine-2-carboxylic acid ethyl ester69142-64-957 % similar 2,5-Pyridinedicarboxylic acid diethyl ester5552-44-356 % similar Ethyl 2-aminothiazole-5-carboxylate32955-21-854 % similar Ethyl 5-bromopicolinate77199-09-854 % similar Ethyl 2-aminopyridine-4-carboxylate13362-30-652 % similar Ethyl 5-amino-1H-pyrazole-3-carboxylate105434-90-050 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

N1-Methyl-4-nitro-O-phenyldiamin41939-61-1 3-Amino-4-hydroxybenzoic acid hydrazide7450-57-9

Elsewhere

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