Rizatriptan

C₁₅H₁₉N₅CAS 144034-80-0269.35 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₅H₁₉N₅
Molar mass: 269.35 g/mol
Exact mass: 269.1640 Da
Melting point: 178–180 °C
logP: 1.91Crippen estimate
Polar surface area: 49.7 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 5

Hazards

Danger

H319 Causes serious eye irritation100% of notifiers
H336 May cause drowsiness or dizziness100% of notifiers
H361 Suspected of damaging fertility or the unborn child100% of notifiers
H372 Causes damage to organs through prolonged or repeated exposure100% of notifiers

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

Precautionary statements

P203, P260, P261, P264, P264+P265, P270, P271, P280, P304+P340, P305+P351+P338, P318, P319, P337+P317, P403+P233, P405, P501

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

Weigh it out

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

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.

Rizatriptan benzoate145202-66-0Salt

Similar compounds

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 Almotriptan malate181183-52-838 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook