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

C9H11ClN4O — CID 81437853

IUPAC6-chloro-3-ethoxy-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCOc1nnc2c(C)c(C)c(Cl)nn12
InChIInChI=1S/C9H11ClN4O/c1-4-15-9-12-11-8-6(3)5(2)7(10)13-14(8)9/h4H2,1-3H3
InChIKeyXUJHWFDYZOHVID-UHFFFAOYSA-N
MW226.67 g/mol
LogP1.79
Rot. Bonds2

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

6-chloro-3-ethoxy-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 81437853) has the molecular formula C9H11ClN4O and a molecular weight of 226.67 g/mol. Its IUPAC name is 6-chloro-3-ethoxy-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-ethoxy-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID81437853
Molecular FormulaC9H11ClN4O
Molecular Weight226.67 g/mol
Exact Mass226.06
IUPAC Name6-chloro-3-ethoxy-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCCOc1nnc2c(C)c(C)c(Cl)nn12
InChIInChI=1S/C9H11ClN4O/c1-4-15-9-12-11-8-6(3)5(2)7(10)13-14(8)9/h4H2,1-3H3
InChIKeyXUJHWFDYZOHVID-UHFFFAOYSA-N
XLogP1.79
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.67
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-ethoxy-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-3-ethoxy-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 81437853) is 6-chloro-3-ethoxy-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-3-ethoxy-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-3-ethoxy-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine is CCOc1nnc2c(C)c(C)c(Cl)nn12.
What is the InChIKey of 6-chloro-3-ethoxy-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is XUJHWFDYZOHVID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN4O/c1-4-15-9-12-11-8-6(3)5(2)7(10)13-14(8)9/h4H2,1-3H3.
What are the key properties of 6-chloro-3-ethoxy-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-3-ethoxy-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 226.67 g/mol, XLogP of 1.79, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-ethoxy-7,8-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 81437853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).