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

C7H5ClF2N4 — CID 87362653

IUPAC6-chloro-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC(F)(F)c1nnc2ccc(Cl)nn12
InChIInChI=1S/C7H5ClF2N4/c1-7(9,10)6-12-11-5-3-2-4(8)13-14(5)6/h2-3H,1H3
InChIKeyWNFNKXCIWAIFAQ-UHFFFAOYSA-N
MW218.59 g/mol
LogP1.89
Rot. Bonds1

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

6-chloro-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 87362653) has the molecular formula C7H5ClF2N4 and a molecular weight of 218.59 g/mol. Its IUPAC name is 6-chloro-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID87362653
Molecular FormulaC7H5ClF2N4
Molecular Weight218.59 g/mol
Exact Mass218.02
IUPAC Name6-chloro-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC(F)(F)c1nnc2ccc(Cl)nn12
InChIInChI=1S/C7H5ClF2N4/c1-7(9,10)6-12-11-5-3-2-4(8)13-14(5)6/h2-3H,1H3
InChIKeyWNFNKXCIWAIFAQ-UHFFFAOYSA-N
XLogP1.89
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.59
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 87362653) is 6-chloro-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine is CC(F)(F)c1nnc2ccc(Cl)nn12.
What is the InChIKey of 6-chloro-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is WNFNKXCIWAIFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF2N4/c1-7(9,10)6-12-11-5-3-2-4(8)13-14(5)6/h2-3H,1H3.
What are the key properties of 6-chloro-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-3-(1,1-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 218.59 g/mol, XLogP of 1.89, 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-difluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 87362653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).