6-chloro-3-(3,5-dichlorophenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine

C13H9Cl3N4 — CID 81442095

IUPAC6-chloro-3-(3,5-dichlorophenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1c(Cl)nn2c(-c3cc(Cl)cc(Cl)c3)nnc2c1C
InChIInChI=1S/C13H9Cl3N4/c1-6-7(2)12-17-18-13(20(12)19-11(6)16)8-3-9(14)5-10(15)4-8/h3-5H,1-2H3
InChIKeyQTJZVFVQTHBYEJ-UHFFFAOYSA-N
MW327.60 g/mol
LogP4.37
Rot. Bonds1

About 6-chloro-3-(3,5-dichlorophenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine

6-chloro-3-(3,5-dichlorophenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 81442095) has the molecular formula C13H9Cl3N4 and a molecular weight of 327.60 g/mol. Its IUPAC name is 6-chloro-3-(3,5-dichlorophenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-(3,5-dichlorophenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID81442095
Molecular FormulaC13H9Cl3N4
Molecular Weight327.60 g/mol
Exact Mass325.99
IUPAC Name6-chloro-3-(3,5-dichlorophenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1c(Cl)nn2c(-c3cc(Cl)cc(Cl)c3)nnc2c1C
InChIInChI=1S/C13H9Cl3N4/c1-6-7(2)12-17-18-13(20(12)19-11(6)16)8-3-9(14)5-10(15)4-8/h3-5H,1-2H3
InChIKeyQTJZVFVQTHBYEJ-UHFFFAOYSA-N
XLogP4.37
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.60
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(3,5-dichlorophenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-3-(3,5-dichlorophenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 81442095) is 6-chloro-3-(3,5-dichlorophenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-3-(3,5-dichlorophenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-3-(3,5-dichlorophenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine is Cc1c(Cl)nn2c(-c3cc(Cl)cc(Cl)c3)nnc2c1C.
What is the InChIKey of 6-chloro-3-(3,5-dichlorophenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is QTJZVFVQTHBYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl3N4/c1-6-7(2)12-17-18-13(20(12)19-11(6)16)8-3-9(14)5-10(15)4-8/h3-5H,1-2H3.
What are the key properties of 6-chloro-3-(3,5-dichlorophenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-3-(3,5-dichlorophenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 327.60 g/mol, XLogP of 4.37, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(3,5-dichlorophenyl)-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 81442095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).