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

C10H10ClF3N4 — CID 58136828

IUPAC6-chloro-7,8-dimethyl-3-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1c(Cl)nn2c(CCC(F)(F)F)nnc2c1C
InChIInChI=1S/C10H10ClF3N4/c1-5-6(2)9-16-15-7(3-4-10(12,13)14)18(9)17-8(5)11/h3-4H2,1-2H3
InChIKeyILVZVXUVTVLVQB-UHFFFAOYSA-N
MW278.67 g/mol
LogP2.89
Rot. Bonds2

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

6-chloro-7,8-dimethyl-3-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 58136828) has the molecular formula C10H10ClF3N4 and a molecular weight of 278.67 g/mol. Its IUPAC name is 6-chloro-7,8-dimethyl-3-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-7,8-dimethyl-3-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID58136828
Molecular FormulaC10H10ClF3N4
Molecular Weight278.67 g/mol
Exact Mass278.05
IUPAC Name6-chloro-7,8-dimethyl-3-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1c(Cl)nn2c(CCC(F)(F)F)nnc2c1C
InChIInChI=1S/C10H10ClF3N4/c1-5-6(2)9-16-15-7(3-4-10(12,13)14)18(9)17-8(5)11/h3-4H2,1-2H3
InChIKeyILVZVXUVTVLVQB-UHFFFAOYSA-N
XLogP2.89
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.67
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-chloro-7,8-dimethyl-3-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-chloro-7,8-dimethyl-3-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-7,8-dimethyl-3-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 58136828) is 6-chloro-7,8-dimethyl-3-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-7,8-dimethyl-3-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-7,8-dimethyl-3-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-b]pyridazine is Cc1c(Cl)nn2c(CCC(F)(F)F)nnc2c1C.
What is the InChIKey of 6-chloro-7,8-dimethyl-3-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is ILVZVXUVTVLVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N4/c1-5-6(2)9-16-15-7(3-4-10(12,13)14)18(9)17-8(5)11/h3-4H2,1-2H3.
What are the key properties of 6-chloro-7,8-dimethyl-3-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-7,8-dimethyl-3-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 278.67 g/mol, XLogP of 2.89, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7,8-dimethyl-3-(3,3,3-trifluoropropyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 58136828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).