4-Methylpyridazine

C₅H₆N₂CAS 1120-88-394.12 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₅H₆N₂
Molar mass: 94.12 g/mol
Exact mass: 94.0531 Da
logP: 0.79Crippen estimate
Polar surface area: 25.8 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 0

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.8% of notifiers

Aggregated from 46 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

1120-88-3

SMILES

CC1=CN=NC=C1

InChIKey

AIKUBOPKWKZULG-UHFFFAOYSA-N

InChI

InChI=1S/C5H6N2/c1-5-2-3-6-7-4-5/h2-4H,1H3

Weigh it out

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

Work with 4-Methylpyridazine

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

4-Methylpyridine108-89-448 % similar 3-Methylpyridine108-99-646 % similar 4-Methoxypyridazine20733-11-342 % similar 5,5′-Dimethyl-2,2′-bipyridine1762-34-142 % similar 4-Aminopyridazine20744-39-242 % similar 4,4′-Dimethyl-2,2′-bipyridine1134-35-640 % similar 2,5-Dimethylpyridine589-93-540 % similar 2,4-Lutidine108-47-438 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Vinylimidazole1072-63-5 Methylpyrazine109-08-0 3-Methylpyridazine1632-76-4 5-Methylpyrimidine2036-41-1 4-Methylpyrimidine3438-46-8 3-Aminopyridine462-08-8 4-Aminopyridine504-24-5 2-Aminopyridine504-29-0

Elsewhere

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