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

C12H9ClN4O — CID 43327050

IUPAC6-chloro-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccccc1-c1nnc2ccc(Cl)nn12
InChIInChI=1S/C12H9ClN4O/c1-18-9-5-3-2-4-8(9)12-15-14-11-7-6-10(13)16-17(11)12/h2-7H,1H3
InChIKeyGXUBQSBQEVKADQ-UHFFFAOYSA-N
MW260.68 g/mol
LogP2.45
Rot. Bonds2

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

6-chloro-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 43327050) has the molecular formula C12H9ClN4O and a molecular weight of 260.68 g/mol. Its IUPAC name is 6-chloro-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-chloro-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID43327050
Molecular FormulaC12H9ClN4O
Molecular Weight260.68 g/mol
Exact Mass260.05
IUPAC Name6-chloro-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccccc1-c1nnc2ccc(Cl)nn12
InChIInChI=1S/C12H9ClN4O/c1-18-9-5-3-2-4-8(9)12-15-14-11-7-6-10(13)16-17(11)12/h2-7H,1H3
InChIKeyGXUBQSBQEVKADQ-UHFFFAOYSA-N
XLogP2.45
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.68
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-chloro-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 43327050) is 6-chloro-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-chloro-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-chloro-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine is COc1ccccc1-c1nnc2ccc(Cl)nn12.
What is the InChIKey of 6-chloro-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is GXUBQSBQEVKADQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4O/c1-18-9-5-3-2-4-8(9)12-15-14-11-7-6-10(13)16-17(11)12/h2-7H,1H3.
What are the key properties of 6-chloro-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-chloro-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 260.68 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-(2-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 43327050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).