Tirasemtiv (ck-2017357)

C₁₂H₁₄N₄OCAS 1005491-05-3230.27 g/mol

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Properties

Molecular formula: C₁₂H₁₄N₄O
Molar mass: 230.27 g/mol
Exact mass: 230.1168 Da
logP: 1.46Crippen estimate
Polar surface area: 63.6 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

Not classified as hazardous under GHS. Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Identifiers

CAS number

1005491-05-3

SMILES

CCC(CC)N1C2=NC(=CN=C2NC1=O)C#C

InChIKey

RSQGZEAXODVTOL-UHFFFAOYSA-N

InChI

InChI=1S/C12H14N4O/c1-4-8-7-13-10-11(14-8)16(12(17)15-10)9(5-2)6-3/h1,7,9H,5-6H2,2-3H3,(H,13,15,17)

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Names and synonyms

1 names

Tirasemtiv

Work with Tirasemtiv (ck-2017357)

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

Elsewhere

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