chempirical

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

C11H13N3OCAS 101328-85-2203.25 g/mol

Open in Covalent MOL file
ONHNH2N
IminePrimary amine

Properties

Molecular formula
C11H13N3O
Molar mass
203.25 g/mol
Exact mass
203.1059 Da
Melting point
201 °C
logP
1.97Crippen estimate
Polar surface area
71.0 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
1
Stereocentres
Rin SMILES atom order

Identifiers

CAS number
101328-85-2
SMILES
C[C@@H]1CC(O)=NN=C1c1ccc(N)cc1
InChIKey
GDMRFHZLKNYRRO-SSDOTTSWSA-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)/t7-/m1/s1

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Names and synonyms

7 names
  • 3(2H)-Pyridazinone, 6-(4-aminophenyl)-4,5-dihydro-5-methyl-, (5R)-
  • 3(2H)-Pyridazinone, 6-(4-aminophenyl)-4,5-dihydro-5-methyl-, (R)-
  • OR 1855
  • (R)-6-(4-Aminophenyl)-5-methyl-4,5-dihydropyridazin-3(2H)-one
  • (5R)-6-(4-Aminophenyl)-5-methyl-2,3,4,5-tetrahydropyridazin-3-one
  • (R)-6-(4-Aminophenyl)-4,5-dihydro-5-methyl-3(2H)-pyridazinone
  • (4R)-3-(4-Aminophenyl)-4-methyl-4,5-dihydro-1H-pyridazin-6-one

Work with (5R)-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

Similar compounds

Levosimendan141505-33-155 % similar Pimobendan74150-27-945 % similar 4,4′-Diaminobenzanilide785-30-840 % similar 4-Aminobenzoic acid150-13-035 % similar 4-Amino-N-[4-(aminocarbonyl)phenyl]benzamide74441-06-834 % similar Isobutyl P-aminobenzoate94-14-434 % similar 4-Aminoacetanilide122-80-533 % similar Aminoglutethimide125-84-833 % similar

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

Same formula

Ampyrone83-07-8

Elsewhere

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