chempirical

Rizatriptan

C15H19N5CAS 144034-80-0269.35 g/mol

Open in Covalent MOL file
NHNNNN
Tertiary amine

Properties

Molecular formula
C15H19N5
Molar mass
269.35 g/mol
Exact mass
269.1640 Da
logP
1.91Crippen estimate
Polar surface area
49.7 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
5

Identifiers

CAS number
144034-80-0
SMILES
CN(C)CCc1c[nH]c2ccc(Cn3cncn3)cc12
InChIKey
ULFRLSNUDGIQQP-UHFFFAOYSA-N
InChI
InChI=1S/C15H19N5/c1-19(2)6-5-13-8-17-15-4-3-12(7-14(13)15)9-20-11-16-10-18-20/h3-4,7-8,10-11,17H,5-6,9H2,1-2H3

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

Names and synonyms

7 names
  • 1H-Indole-3-ethanamine, N,N-dimethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-
  • N,N-Dimethyl-5-(1H-1,2,4-triazol-1-ylmethyl)-1H-indole-3-ethanamine
  • MK 462 free base
  • Risatriptan
  • N,N-Dimethyl-2-[5-(1H-1,2,4-triazol-1-ylmethyl)-1H-indol-3-yl]ethylamine
  • 3-[2-(Dimethylamino)ethyl]-5-(1H-1,2,4-triazol-1-ylmethyl)indole
  • 2-(5-((1H-1,2,4-Triazol-1-yl)methyl)-1H-indol-3-yl)-N,N-dimethylethanamine

Work with Rizatriptan

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

Rizatriptan benzoate145202-66-075 % similar 5-Methoxy-N,N-dimethyltryptamine1019-45-050 % similar Sumatriptan103628-46-250 % similar Almotriptan154323-57-650 % similar Zolmitriptan139264-17-848 % similar Sumatriptan succinate103628-48-443 % similar 1-(4-Aminobenzyl)-1,2,4-triazole119192-10-839 % similar 5-Fluoro-N,N-dimethyl-1H-indole-3-methanamine343-90-838 % similar

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

Elsewhere

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