6-chloro-3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine

C7H2ClF5N4 — CID 4146965

IUPAC6-chloro-3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)C(F)(F)c1nnc2ccc(Cl)nn12
InChIInChI=1S/C7H2ClF5N4/c8-3-1-2-4-14-15-5(17(4)16-3)6(9,10)7(11,12)13/h1-2H
InChIKeyIDGUYBLONFJZGP-UHFFFAOYSA-N
MW272.56 g/mol
LogP2.43
Rot. Bonds1

About 6-chloro-3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine

6-chloro-3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 4146965) has the molecular formula C7H2ClF5N4 and a molecular weight of 272.56 g/mol. Its IUPAC name is 6-chloro-3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID4146965
Molecular FormulaC7H2ClF5N4
Molecular Weight272.56 g/mol
Exact Mass271.99
IUPAC Name6-chloro-3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)(F)C(F)(F)c1nnc2ccc(Cl)nn12
InChIInChI=1S/C7H2ClF5N4/c8-3-1-2-4-14-15-5(17(4)16-3)6(9,10)7(11,12)13/h1-2H
InChIKeyIDGUYBLONFJZGP-UHFFFAOYSA-N
XLogP2.43
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.56
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 4146965) is 6-chloro-3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine is FC(F)(F)C(F)(F)c1nnc2ccc(Cl)nn12.
What is the InChIKey of 6-chloro-3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is IDGUYBLONFJZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H2ClF5N4/c8-3-1-2-4-14-15-5(17(4)16-3)6(9,10)7(11,12)13/h1-2H.
What are the key properties of 6-chloro-3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 272.56 g/mol, XLogP of 2.43, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(1,1,2,2,2-pentafluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 4146965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).