8-methyl-6-pyridin-3-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

C11H9N5O — CID 117063091

IUPAC8-methyl-6-pyridin-3-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCc1cc(-c2cccnc2)nn2c(=O)[nH]nc12
InChIInChI=1S/C11H9N5O/c1-7-5-9(8-3-2-4-12-6-8)15-16-10(7)13-14-11(16)17/h2-6H,1H3,(H,14,17)
InChIKeyFOZZUXYCVPQOKL-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.79
Rot. Bonds1

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

8-methyl-6-pyridin-3-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 117063091) has the molecular formula C11H9N5O and a molecular weight of 227.23 g/mol. Its IUPAC name is 8-methyl-6-pyridin-3-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name8-methyl-6-pyridin-3-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID117063091
Molecular FormulaC11H9N5O
Molecular Weight227.23 g/mol
Exact Mass227.08
IUPAC Name8-methyl-6-pyridin-3-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCc1cc(-c2cccnc2)nn2c(=O)[nH]nc12
InChIInChI=1S/C11H9N5O/c1-7-5-9(8-3-2-4-12-6-8)15-16-10(7)13-14-11(16)17/h2-6H,1H3,(H,14,17)
InChIKeyFOZZUXYCVPQOKL-UHFFFAOYSA-N
XLogP0.79
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-one
CID 10243363
1-ethyl-3-pyridin-3-ylpyrazole-5-carbaldehyde
CID 84761337
3-(5-methyl-1-prop-2-ynylpyrazol-3-yl)pyridine
CID 121211783
2-(5-amino-3-pyridin-3-ylpyrazol-1-yl)acetic acid
CID 121214144
7-(methoxymethyl)-5-pyridin-3-yl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 94076807
3-(2,5-dimethyl-4-pyridin-3-ylphenyl)pyridine
CID 155748097
7-methyl-3-(methylsulfonylmethyl)-6-pyridin-3-yl-1H-quinazoline-2,4-dione
CID 58532914
(5-phenyl-2-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)hydrazine
CID 82270451
2-pyridin-3-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 177343859
2,4-dimethyl-5-pyridin-3-yl-1,2,4-triazol-3-one
CID 126953697
2-methyl-5-pyridin-3-yl-1,2-oxazol-3-one
CID 10725945
1-(2,5-dimethylphenyl)-3-pyridin-3-ylpyrazole-5-carboxylic acid
CID 82370874

Frequently Asked Questions

What is the IUPAC name of 8-methyl-6-pyridin-3-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 8-methyl-6-pyridin-3-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 117063091) is 8-methyl-6-pyridin-3-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 8-methyl-6-pyridin-3-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 8-methyl-6-pyridin-3-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is Cc1cc(-c2cccnc2)nn2c(=O)[nH]nc12.
What is the InChIKey of 8-methyl-6-pyridin-3-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is FOZZUXYCVPQOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N5O/c1-7-5-9(8-3-2-4-12-6-8)15-16-10(7)13-14-11(16)17/h2-6H,1H3,(H,14,17).
What are the key properties of 8-methyl-6-pyridin-3-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
8-methyl-6-pyridin-3-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 227.23 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-6-pyridin-3-yl-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 117063091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).