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

C6H3ClF2N4 — CID 1472385

IUPAC6-chloro-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)c1nnc2ccc(Cl)nn12
InChIInChI=1S/C6H3ClF2N4/c7-3-1-2-4-10-11-6(5(8)9)13(4)12-3/h1-2,5H
InChIKeyROMPZOMVJLWOLW-UHFFFAOYSA-N
MW204.57 g/mol
LogP1.72
Rot. Bonds1

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

6-chloro-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 1472385) has the molecular formula C6H3ClF2N4 and a molecular weight of 204.57 g/mol. Its IUPAC name is 6-chloro-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID1472385
Molecular FormulaC6H3ClF2N4
Molecular Weight204.57 g/mol
Exact Mass204.00
IUPAC Name6-chloro-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC(F)c1nnc2ccc(Cl)nn12
InChIInChI=1S/C6H3ClF2N4/c7-3-1-2-4-10-11-6(5(8)9)13(4)12-3/h1-2,5H
InChIKeyROMPZOMVJLWOLW-UHFFFAOYSA-N
XLogP1.72
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.57
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 1472385) is 6-chloro-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is FC(F)c1nnc2ccc(Cl)nn12.
What is the InChIKey of 6-chloro-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is ROMPZOMVJLWOLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3ClF2N4/c7-3-1-2-4-10-11-6(5(8)9)13(4)12-3/h1-2,5H.
What are the key properties of 6-chloro-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 204.57 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(difluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 1472385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).