6-chloro-3-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine

C13H11ClN4O2 — CID 686659

IUPAC6-chloro-3-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccc(-c2nnc3ccc(Cl)nn23)c(OC)c1
InChIInChI=1S/C13H11ClN4O2/c1-19-8-3-4-9(10(7-8)20-2)13-16-15-12-6-5-11(14)17-18(12)13/h3-7H,1-2H3
InChIKeyVEMGJMUKUMIMFT-UHFFFAOYSA-N
MW290.71 g/mol
LogP2.46
Rot. Bonds3

About 6-chloro-3-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine

6-chloro-3-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 686659) has the molecular formula C13H11ClN4O2 and a molecular weight of 290.71 g/mol. Its IUPAC name is 6-chloro-3-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID686659
Molecular FormulaC13H11ClN4O2
Molecular Weight290.71 g/mol
Exact Mass290.06
IUPAC Name6-chloro-3-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccc(-c2nnc3ccc(Cl)nn23)c(OC)c1
InChIInChI=1S/C13H11ClN4O2/c1-19-8-3-4-9(10(7-8)20-2)13-16-15-12-6-5-11(14)17-18(12)13/h3-7H,1-2H3
InChIKeyVEMGJMUKUMIMFT-UHFFFAOYSA-N
XLogP2.46
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-3-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 686659) is 6-chloro-3-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-3-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-3-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine is COc1ccc(-c2nnc3ccc(Cl)nn23)c(OC)c1.
What is the InChIKey of 6-chloro-3-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is VEMGJMUKUMIMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O2/c1-19-8-3-4-9(10(7-8)20-2)13-16-15-12-6-5-11(14)17-18(12)13/h3-7H,1-2H3.
What are the key properties of 6-chloro-3-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-3-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 290.71 g/mol, XLogP of 2.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2,4-dimethoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 686659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).