2-Amino-1H-imidazole-4,5-dicarbonitrile

C₅H₃N₅CAS 40953-34-2133.11 g/mol

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Nitrile

Properties

Molecular formula: C₅H₃N₅
Molar mass: 133.11 g/mol
Exact mass: 133.0388 Da
logP: -0.43Crippen estimate
Polar surface area: 103.0 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 0

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation97.6% of notifiers

Aggregated from 41 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, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

40953-34-2

SMILES

N#Cc1[nH]c(=N)[nH]c1C#N

InChIKey

MLOXIXGLIZLPDP-UHFFFAOYSA-N

InChI

InChI=1S/C5H3N5/c6-1-3-4(2-7)10-5(8)9-3/h(H3,8,9,10)

Weigh it out

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

Names and synonyms

5 names

1H-Imidazole-4,5-dicarbonitrile, 2-amino-
2-Amino-4,5-dicyanoimidazole
2-Aminoimidazole-4,5-dicarbonitrile
4,5-Dicyano-2-aminoimidazole
AIDCN

Work with 2-Amino-1H-imidazole-4,5-dicarbonitrile

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

Melamine108-78-144 % similar 1,3,5-Triazine-2,4,6-triamine, hydrobromide (1:?)29305-12-238 % similar 2-Aminobenzimidazole934-32-738 % similar 3,5-Diamino-1,2,4-triazole1455-77-233 % similar 3,5-Diamino-1,2,4-triazole503-88-833 % similar Melamine resin9003-08-133 % similar 4,5-Dicyanoimidazole1122-28-732 % similar Melamine cyanurate37640-57-631 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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