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

C12H10N4O — CID 12726834

IUPAC6-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1cccc(-c2ccc3nncn3n2)c1
InChIInChI=1S/C12H10N4O/c1-17-10-4-2-3-9(7-10)11-5-6-12-14-13-8-16(12)15-11/h2-8H,1H3
InChIKeyRFGOBDACWZPMRY-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.80
Rot. Bonds2

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

6-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 12726834) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID12726834
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name6-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1cccc(-c2ccc3nncn3n2)c1
InChIInChI=1S/C12H10N4O/c1-17-10-4-2-3-9(7-10)11-5-6-12-14-13-8-16(12)15-11/h2-8H,1H3
InChIKeyRFGOBDACWZPMRY-UHFFFAOYSA-N
XLogP1.80
TPSA52.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 12726834) is 6-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine is COc1cccc(-c2ccc3nncn3n2)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is RFGOBDACWZPMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-17-10-4-2-3-9(7-10)11-5-6-12-14-13-8-16(12)15-11/h2-8H,1H3.
What are the key properties of 6-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 226.24 g/mol, XLogP of 1.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 12726834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).