3-Aminopyrazine-2-carbonitrile

C₅H₄N₄CAS 25911-65-3120.12 g/mol

Open in Covalent MOL file

Nitrile Primary amine

Properties

Molecular formula: C₅H₄N₄
Molar mass: 120.12 g/mol
Exact mass: 120.0436 Da
logP: -0.07Crippen estimate
Polar surface area: 75.6 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 0

Hazards

Danger

H301 Toxic if swallowed50% of notifiers
H302 Harmful if swallowed50% of notifiers
H311 Toxic in contact with skin50% of notifiers
H312 Harmful in contact with skin50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H331 Toxic if inhaled50% of notifiers
H332 Harmful if inhaled50% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

25911-65-3

SMILES

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

InChIKey

GPIZLEHIVRHDAW-UHFFFAOYSA-N

InChI

InChI=1S/C5H4N4/c6-3-4-5(7)9-2-1-8-4/h1-2H,(H2,7,9)

Weigh it out

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

Work with 3-Aminopyrazine-2-carbonitrile

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-Dicyanopyrazine13481-25-964 % similar 2-Amino-3-cyanopyridine24517-64-450 % similar 3-Amino-2-pyridinecarbonitrile42242-11-550 % similar 3-Chloropyrazine-2-carbonitrile55557-52-350 % similar Pyridine-2,3-dicarbonitrile17132-78-443 % similar 4-Amino-5-cyanoimidazole5098-11-343 % similar 3-Bromopyridine-2-carbonitrile55758-02-642 % similar 1-Isoquinolinecarbonitrile1198-30-741 % similar

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

Same formula

Purine120-73-0 4-Amino-5-cyanopyrimidine16357-69-0 1H-1,2,3-Triazolo(4,5-b)pyridine273-34-7 5-Amino-2-pyrimidinecarbonitrile56621-93-3

Elsewhere

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