6-Piperazino-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine

HCID 1476862

Substructure search Find similar structures

Basic information

Standard SMILES: FC(F)(F)c1nnc2ccc(N3CCNCC3)nn12
InChIKey: XECIZQVFPVPNOD-UHFFFAOYSA-N
Molecular formula: C10H11F3N6
Average molar mass: 272.23 g/mol

Names & identifiers

Preferred name: 6-Piperazino-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine
IUPAC: 6-piperazin-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine

Names & synonyms

338748-56-46-piperazino-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazineMFCD013159471-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperazine6-piperazin-1-yl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazineSCHEMBL2266118AKOS0050903194M-7646-(piperazin-1-yl)-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine6-(piperazin-1-yl)-3-(trifluoromethyl)[1,2,4]triazolo[4,3-b]pyridazine

Database identifiers

PubChem CID: 1476862

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 58.4 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 8
Rotatable bonds: 1
Heavy atoms: 19
Formal charge: 0
Complexity: 319

Related reactions

265 records

New reaction record

HRID 87115As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 98277As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 103077As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 104357As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 110692As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 112227As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 113956As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 118731As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Linked notes

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