chempirical

4-Methylpyridazine

C5H6N2CAS 1120-88-394.12 g/mol

Open in Covalent MOL file
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Properties

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

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

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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 4,4′-Dimethyl-2,2′-bipyridine1134-35-640 % similar 2,5-Dimethylpyridine589-93-540 % similar 2,4-Lutidine108-47-438 % similar 2-Hydroxy-5-methylpyridine1003-68-537 % 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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