Identita

N-nitroso-Triazolopyrazine

Neuvedeno · C16H13F6N5O2

01Identita

Lazychem IDLC-22694
CAS RNNeuvedeno
PubChem CID90735757
Molecular formulaC16H13F6N5O2
Molecular weight421.30 g/mol
IUPAC name3-nitroso-1-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)-4-(2,4,5-trifluorophenyl)butan-1-one
InChIKeyYVVILVIZQCZRFL-UHFFFAOYSA-N

02Struktura a stereochemie

2D structurePubChem CID 90735757
Two-dimensional chemical structure of N-nitroso-Triazolopyrazine
Two-dimensional structure for the PubChem identity linked to this record. Confirm the identifiers before analytical use.

The parsed structure contains 3 rings, includes aromatic atoms, includes aliphatic carbon, contains at least one halogen atom. These statements are calculated from the published structure string.

Defined stereocentres0
Ring count3
Secondary amines0
Tertiary amines0
SMILESO=C(N1CC2=NN=C(C(F)(F)F)N2CC1)CC(N=O)CC3=CC(F)=C(F)C=C3F
InChINeuvedeno

03Stereochemistry

The published structure contains 0 defined and 1 unassigned tetrahedral stereocentre. The exact wedge and dash depiction is shown above.

Defined centres0Structure assigned
Unassigned centres1Structure unspecified
Assignment statusUnassignedExact published identity
Tetrahedral upper bound≤ 2Before symmetry reduction

Published same-connectivity configurations

1 record

These records have the same connectivity, molecular formula and protonation layer, but a different complete InChIKey stereochemical layer. Only separately structure-linked records are shown.

No additional structure-linked configuration with the same connectivity is currently present in the LazyChem dataset.

Scope: The mathematical 2^n value is only an upper bound. Symmetry and other stereogenic elements can change the number of distinct stereoisomers. A hypothetical configuration is not published as a compound record without a verified structure identity.

04Stav v Indii

Exact-compound status is evaluated only against the published name and CAS number. Confirm the current official instrument before a regulatory decision.

05Názvy a vztahy

API a mateřské léčivo

Nitroso Impurity

Nečistoty a související sloučeniny

Názvy a vztahy

    Nečistoty a související sloučeniny

    06Zdroje