6-chloro-3-(difluoromethyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine

C8H7ClF2N4 — CID 81441049

IUPAC6-chloro-3-(difluoromethyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1c(Cl)nn2c(C(F)F)nnc2c1C
InChIInChI=1S/C8H7ClF2N4/c1-3-4(2)7-12-13-8(6(10)11)15(7)14-5(3)9/h6H,1-2H3
InChIKeyHWVATJWKDWXFCE-UHFFFAOYSA-N
MW232.62 g/mol
LogP2.33
Rot. Bonds1

About 6-chloro-3-(difluoromethyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine

6-chloro-3-(difluoromethyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 81441049) has the molecular formula C8H7ClF2N4 and a molecular weight of 232.62 g/mol. Its IUPAC name is 6-chloro-3-(difluoromethyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-(difluoromethyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID81441049
Molecular FormulaC8H7ClF2N4
Molecular Weight232.62 g/mol
Exact Mass232.03
IUPAC Name6-chloro-3-(difluoromethyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1c(Cl)nn2c(C(F)F)nnc2c1C
InChIInChI=1S/C8H7ClF2N4/c1-3-4(2)7-12-13-8(6(10)11)15(7)14-5(3)9/h6H,1-2H3
InChIKeyHWVATJWKDWXFCE-UHFFFAOYSA-N
XLogP2.33
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.62
LogP ≤ 52.33
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)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-3-(difluoromethyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 81441049) is 6-chloro-3-(difluoromethyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-3-(difluoromethyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-3-(difluoromethyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine is Cc1c(Cl)nn2c(C(F)F)nnc2c1C.
What is the InChIKey of 6-chloro-3-(difluoromethyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is HWVATJWKDWXFCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF2N4/c1-3-4(2)7-12-13-8(6(10)11)15(7)14-5(3)9/h6H,1-2H3.
What are the key properties of 6-chloro-3-(difluoromethyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-3-(difluoromethyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 232.62 g/mol, XLogP of 2.33, 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)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 81441049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).