6-(4-Aminophenyl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone

C₁₁H₁₃N₃OCAS 36725-28-7203.25 g/mol

Open in Covalent MOL file

Amide Hydrazone Lactam Primary amine

Properties

Molecular formula: C₁₁H₁₃N₃O
Molar mass: 203.25 g/mol
Exact mass: 203.1059 Da
logP: 1.13Crippen estimate
Polar surface area: 67.5 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 1

Hazards

Warning

H302+H312+H332 Harmful if swallowed, in contact with skin or if inhaled100% of notifiers

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

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number

36725-28-7

SMILES

CC1CC(=O)NN=C1C2=CC=C(C=C2)N

InChIKey

GDMRFHZLKNYRRO-UHFFFAOYSA-N

InChI

InChI=1S/C11H13N3O/c1-7-6-10(15)13-14-11(7)8-2-4-9(12)5-3-8/h2-5,7H,6,12H2,1H3,(H,13,15)

Weigh it out

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

Work with 6-(4-Aminophenyl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(5R)-6-(4-Aminophenyl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone101328-85-2Defined stereoisomer

Similar compounds

Simendan131741-08-759 % similar Isobutyl p-aminobenzoate94-14-438 % similar Propan-2-yl 4-aminobenzoate18144-43-938 % similar 4-Amino-N-methylbenzamide6274-22-237 % similar 4′-Aminopropiophenone70-69-937 % similar P-Aminoacetophenone99-92-337 % similar 4,4'-Diaminobenzophenone611-98-336 % similar 1-(4-Aminophenyl)-1-butanone1688-71-736 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-((4-Methoxyphenyl)methyl)-1H-pyrazol-5-amine3528-45-8 Ampyrone83-07-8

Elsewhere

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