6-methoxy-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine

C12H10N4O — CID 754096

IUPAC6-methoxy-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccc2nnc(-c3ccccc3)n2n1
InChIInChI=1S/C12H10N4O/c1-17-11-8-7-10-13-14-12(16(10)15-11)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyZKAUQAJMTRMCCA-UHFFFAOYSA-N
MW226.24 g/mol
LogP1.80
Rot. Bonds2

About 6-methoxy-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine

6-methoxy-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 754096) has the molecular formula C12H10N4O and a molecular weight of 226.24 g/mol. Its IUPAC name is 6-methoxy-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-methoxy-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID754096
Molecular FormulaC12H10N4O
Molecular Weight226.24 g/mol
Exact Mass226.09
IUPAC Name6-methoxy-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOc1ccc2nnc(-c3ccccc3)n2n1
InChIInChI=1S/C12H10N4O/c1-17-11-8-7-10-13-14-12(16(10)15-11)9-5-3-2-4-6-9/h2-8H,1H3
InChIKeyZKAUQAJMTRMCCA-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-methoxy-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-methoxy-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 754096) is 6-methoxy-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-methoxy-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-methoxy-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine is COc1ccc2nnc(-c3ccccc3)n2n1.
What is the InChIKey of 6-methoxy-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is ZKAUQAJMTRMCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O/c1-17-11-8-7-10-13-14-12(16(10)15-11)9-5-3-2-4-6-9/h2-8H,1H3.
What are the key properties of 6-methoxy-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine?
6-methoxy-3-phenyl-[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-methoxy-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 754096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).