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

C9H8ClF3N4 — CID 81438661

IUPAC6-chloro-7,8-dimethyl-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1c(Cl)nn2c(CC(F)(F)F)nnc2c1C
InChIInChI=1S/C9H8ClF3N4/c1-4-5(2)8-15-14-6(3-9(11,12)13)17(8)16-7(4)10/h3H2,1-2H3
InChIKeyKDZFENVVIASAMB-UHFFFAOYSA-N
MW264.64 g/mol
LogP2.50
Rot. Bonds1

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

6-chloro-7,8-dimethyl-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 81438661) has the molecular formula C9H8ClF3N4 and a molecular weight of 264.64 g/mol. Its IUPAC name is 6-chloro-7,8-dimethyl-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-7,8-dimethyl-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID81438661
Molecular FormulaC9H8ClF3N4
Molecular Weight264.64 g/mol
Exact Mass264.04
IUPAC Name6-chloro-7,8-dimethyl-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1c(Cl)nn2c(CC(F)(F)F)nnc2c1C
InChIInChI=1S/C9H8ClF3N4/c1-4-5(2)8-15-14-6(3-9(11,12)13)17(8)16-7(4)10/h3H2,1-2H3
InChIKeyKDZFENVVIASAMB-UHFFFAOYSA-N
XLogP2.50
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.64
LogP ≤ 52.50
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-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-7,8-dimethyl-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 81438661) is 6-chloro-7,8-dimethyl-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-7,8-dimethyl-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-7,8-dimethyl-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine is Cc1c(Cl)nn2c(CC(F)(F)F)nnc2c1C.
What is the InChIKey of 6-chloro-7,8-dimethyl-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is KDZFENVVIASAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClF3N4/c1-4-5(2)8-15-14-6(3-9(11,12)13)17(8)16-7(4)10/h3H2,1-2H3.
What are the key properties of 6-chloro-7,8-dimethyl-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-7,8-dimethyl-3-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 264.64 g/mol, XLogP of 2.50, 1 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-(2,2,2-trifluoroethyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 81438661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).