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

C8H5ClF2N4 — CID 134555460

IUPAC6-chloro-3-(2,2-difluorocyclopropyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC1(F)CC1c1nnc2ccc(Cl)nn12
InChIInChI=1S/C8H5ClF2N4/c9-5-1-2-6-12-13-7(15(6)14-5)4-3-8(4,10)11/h1-2,4H,3H2
InChIKeyTZCPHYFNTZTECU-UHFFFAOYSA-N
MW230.61 g/mol
LogP1.90
Rot. Bonds1

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

6-chloro-3-(2,2-difluorocyclopropyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 134555460) has the molecular formula C8H5ClF2N4 and a molecular weight of 230.61 g/mol. Its IUPAC name is 6-chloro-3-(2,2-difluorocyclopropyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-(2,2-difluorocyclopropyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID134555460
Molecular FormulaC8H5ClF2N4
Molecular Weight230.61 g/mol
Exact Mass230.02
IUPAC Name6-chloro-3-(2,2-difluorocyclopropyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESFC1(F)CC1c1nnc2ccc(Cl)nn12
InChIInChI=1S/C8H5ClF2N4/c9-5-1-2-6-12-13-7(15(6)14-5)4-3-8(4,10)11/h1-2,4H,3H2
InChIKeyTZCPHYFNTZTECU-UHFFFAOYSA-N
XLogP1.90
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.61
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2,2-difluorocyclopropyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-3-(2,2-difluorocyclopropyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 134555460) is 6-chloro-3-(2,2-difluorocyclopropyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-3-(2,2-difluorocyclopropyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-3-(2,2-difluorocyclopropyl)-[1,2,4]triazolo[4,3-b]pyridazine is FC1(F)CC1c1nnc2ccc(Cl)nn12.
What is the InChIKey of 6-chloro-3-(2,2-difluorocyclopropyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is TZCPHYFNTZTECU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF2N4/c9-5-1-2-6-12-13-7(15(6)14-5)4-3-8(4,10)11/h1-2,4H,3H2.
What are the key properties of 6-chloro-3-(2,2-difluorocyclopropyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-3-(2,2-difluorocyclopropyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 230.61 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2,2-difluorocyclopropyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 134555460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).