5-Aminopyrazine-2-carboxylic acid methyl ester

C₆H₇N₃O₂CAS 13924-94-2153.14 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₆H₇N₃O₂
Molar mass: 153.14 g/mol
Exact mass: 153.0538 Da
logP: -0.15Crippen estimate
Polar surface area: 78.1 Å²
H-bond donors / acceptors: 1 / 5
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

13924-94-2

SMILES

COC(=O)C1=CN=C(C=N1)N

InChIKey

RPEZSZAVQOVHCZ-UHFFFAOYSA-N

InChI

InChI=1S/C6H7N3O2/c1-11-6(10)4-2-9-5(7)3-8-4/h2-3H,1H3,(H2,7,9)

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

Methyl 5-aminopyrazine-2-carboxylate

Work with 5-Aminopyrazine-2-carboxylic acid methyl 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 ethyl ester54013-06-864 % similar Methyl 5-chloropyrazine-2-carboxylate33332-25-160 % similar Methyl 6-aminonicotinate36052-24-158 % similar Methyl 2-pyrazinecarboxylate6164-79-054 % similar 6-Aminopicolinic acid methyl ester36052-26-354 % similar Dimethyl pyridine-2,5-dicarboxylate881-86-753 % similar 5-Aminopyrazine-2-carboxylic acid40155-43-951 % similar Methyl 5-fluoropyridine-2-carboxylate107504-07-450 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(4-Nitrophenyl)hydrazine100-16-3 1-Hydroxy-1H-benzotriazole hydrate (1:?)123333-53-9 6-Hydrazinonicotinic acid133081-24-0 N4-Acetylcytosine14631-20-0 2-Amino-3-(methoxycarbonyl)pyrazine16298-03-6 2-Amino-3-methyl-5-nitropyridine18344-51-9 2-Amino-3-nitro-6-picoline21901-29-1 2-Amino-5-nitro-4-picoline21901-40-6

Elsewhere

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