6,8-diphenyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

C17H12N4O — CID 6410711

IUPAC6,8-diphenyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2c(-c3ccccc3)cc(-c3ccccc3)nn12
InChIInChI=1S/C17H12N4O/c22-17-19-18-16-14(12-7-3-1-4-8-12)11-15(20-21(16)17)13-9-5-2-6-10-13/h1-11H,(H,19,22)
InChIKeyLLQJYYHOWANTNX-UHFFFAOYSA-N
MW288.31 g/mol
LogP2.75
Rot. Bonds2

About 6,8-diphenyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

6,8-diphenyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 6410711) has the molecular formula C17H12N4O and a molecular weight of 288.31 g/mol. Its IUPAC name is 6,8-diphenyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6,8-diphenyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID6410711
Molecular FormulaC17H12N4O
Molecular Weight288.31 g/mol
Exact Mass288.10
IUPAC Name6,8-diphenyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESO=c1[nH]nc2c(-c3ccccc3)cc(-c3ccccc3)nn12
InChIInChI=1S/C17H12N4O/c22-17-19-18-16-14(12-7-3-1-4-8-12)11-15(20-21(16)17)13-9-5-2-6-10-13/h1-11H,(H,19,22)
InChIKeyLLQJYYHOWANTNX-UHFFFAOYSA-N
XLogP2.75
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,8-diphenyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6,8-diphenyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 6410711) is 6,8-diphenyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6,8-diphenyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6,8-diphenyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is O=c1[nH]nc2c(-c3ccccc3)cc(-c3ccccc3)nn12.
What is the InChIKey of 6,8-diphenyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is LLQJYYHOWANTNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4O/c22-17-19-18-16-14(12-7-3-1-4-8-12)11-15(20-21(16)17)13-9-5-2-6-10-13/h1-11H,(H,19,22).
What are the key properties of 6,8-diphenyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6,8-diphenyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 288.31 g/mol, XLogP of 2.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-diphenyl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 6410711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).