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

C8H6ClF3N4 — CID 71627338

IUPAC6-chloro-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1c(Cl)nn2c(C(F)(F)F)nnc2c1C
InChIInChI=1S/C8H6ClF3N4/c1-3-4(2)6-13-14-7(8(10,11)12)16(6)15-5(3)9/h1-2H3
InChIKeyLHKSYJDLZQRJEN-UHFFFAOYSA-N
MW250.61 g/mol
LogP2.41
Rot. Bonds

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

6-chloro-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 71627338) has the molecular formula C8H6ClF3N4 and a molecular weight of 250.61 g/mol. Its IUPAC name is 6-chloro-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID71627338
Molecular FormulaC8H6ClF3N4
Molecular Weight250.61 g/mol
Exact Mass250.02
IUPAC Name6-chloro-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1c(Cl)nn2c(C(F)(F)F)nnc2c1C
InChIInChI=1S/C8H6ClF3N4/c1-3-4(2)6-13-14-7(8(10,11)12)16(6)15-5(3)9/h1-2H3
InChIKeyLHKSYJDLZQRJEN-UHFFFAOYSA-N
XLogP2.41
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.61
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 71627338) is 6-chloro-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is Cc1c(Cl)nn2c(C(F)(F)F)nnc2c1C.
What is the InChIKey of 6-chloro-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is LHKSYJDLZQRJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClF3N4/c1-3-4(2)6-13-14-7(8(10,11)12)16(6)15-5(3)9/h1-2H3.
What are the key properties of 6-chloro-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-7,8-dimethyl-3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 250.61 g/mol, XLogP of 2.41, 0 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-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 71627338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).