chempirical

Milrinone

C12H9N3OCAS 78415-72-2211.22 g/mol

Open in Covalent MOL file
NOHNN
NitrilePhenol

Properties

Molecular formula
C12H9N3O
Molar mass
211.22 g/mol
Exact mass
211.0746 Da
Melting point
above 300 °C
logP
2.03Crippen estimate
Polar surface area
69.8 Ų
H-bond donors / acceptors
1 / 4
Rotatable bonds
1

Identifiers

CAS number
78415-72-2
SMILES
Cc1nc(O)c(C#N)cc1-c1ccncc1
InChIKey
PZRHRDRVRGEVNW-UHFFFAOYSA-N
InChI
InChI=1S/C12H9N3O/c1-8-11(9-2-4-14-5-3-9)6-10(7-13)12(16)15-8/h2-6H,1H3,(H,15,16)

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

Names and synonyms

9 names
  • [3,4′-Bipyridine]-5-carbonitrile, 1,6-dihydro-2-methyl-6-oxo-
  • 1,6-Dihydro-2-methyl-6-oxo[3,4′-bipyridine]-5-carbonitrile
  • Win 47203
  • Corotrope
  • Primacor IV
  • Corotrop
  • Milrila
  • Primacor
  • 2-Hydroxy-6-methyl-5-(pyridin-4-yl)pyridine-3-carbonitrile

Work with Milrinone

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

Milrinone lactate100286-97-370 % similar Olprinone106730-54-560 % similar 1,2-Dihydro-6-methyl-2-oxo-3-pyridinecarbonitrile4241-27-449 % similar 6-Fluoro-2-methyl-3-pyridinecarbonitrile375368-85-739 % similar 3-Cyano-2-pyridone20577-27-937 % similar 4-Methyl-3-pyridinecarbonitrile5444-01-937 % similar 3-Cyano-4,6-dimethyl-2-hydroxypyridine769-28-837 % similar Topiroxostat577778-58-635 % similar

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

Same formula

N-[4-(2,2-Dicyanoethenyl)phenyl]acetamide26088-79-9 5,11-Dihydro-6H-pyrido[2,3-B][1,4]benzodiazepin-6-one885-70-1

Elsewhere

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