Pyrazine-2,3-dicarboxylic acid monoamide

C₆H₅N₃O₃CAS 67367-37-7167.12 g/mol

Open in Covalent MOL file

Amide Carboxylic acid

Properties

Molecular formula: C₆H₅N₃O₃
Molar mass: 167.12 g/mol
Exact mass: 167.0331 Da
logP: -0.73Crippen estimate
Polar surface area: 106.2 Å²
H-bond donors / acceptors: 2 / 4
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation50% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

67367-37-7

SMILES

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

InChIKey

VIBWYIDVHOAVJB-UHFFFAOYSA-N

InChI

InChI=1S/C6H5N3O3/c7-5(10)3-4(6(11)12)9-2-1-8-3/h1-2H,(H2,7,10)(H,11,12)

Weigh it out

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

Work with Pyrazine-2,3-dicarboxylic acid monoamide

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

2,3-Pyrazinedicarboxylic acid89-01-072 % similar 3-Amino-2-pyrazinecarboxylic acid5424-01-158 % similar 3-Chloro-2-pyrazine-carboxylic acid27398-39-653 % similar 3-Methylpyrazine-2-carboxylic acid41110-28-553 % similar 3-Bromopyridine-2-carboxylic acid30683-23-950 % similar 3-Aminopicolinic acid1462-86-849 % similar 4-(Aminocarbonyl)benzoic acid6051-43-048 % similar Quinolinic acid339155-13-447 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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