8-methyl-7-(piperidin-1-ylmethyl)-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one

C12H17N5O — CID 18527884

IUPAC8-methyl-7-(piperidin-1-ylmethyl)-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one
SMILESCc1c(CN2CCCCC2)c(=O)[nH]n2cnnc12
InChIInChI=1S/C12H17N5O/c1-9-10(7-16-5-3-2-4-6-16)12(18)15-17-8-13-14-11(9)17/h8H,2-7H2,1H3,(H,15,18)
InChIKeyGOXOUJHUEIPIOF-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.71
Rot. Bonds2

About 8-methyl-7-(piperidin-1-ylmethyl)-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one

8-methyl-7-(piperidin-1-ylmethyl)-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one (PubChem CID 18527884) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 8-methyl-7-(piperidin-1-ylmethyl)-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one.

Molecular Properties

Compound Name8-methyl-7-(piperidin-1-ylmethyl)-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one
PubChem CID18527884
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name8-methyl-7-(piperidin-1-ylmethyl)-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one
SMILESCc1c(CN2CCCCC2)c(=O)[nH]n2cnnc12
InChIInChI=1S/C12H17N5O/c1-9-10(7-16-5-3-2-4-6-16)12(18)15-17-8-13-14-11(9)17/h8H,2-7H2,1H3,(H,15,18)
InChIKeyGOXOUJHUEIPIOF-UHFFFAOYSA-N
XLogP0.71
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-7-(piperidin-1-ylmethyl)-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one?
The IUPAC name of 8-methyl-7-(piperidin-1-ylmethyl)-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one (CID 18527884) is 8-methyl-7-(piperidin-1-ylmethyl)-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one.
What is the SMILES notation for 8-methyl-7-(piperidin-1-ylmethyl)-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one?
The canonical SMILES for 8-methyl-7-(piperidin-1-ylmethyl)-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one is Cc1c(CN2CCCCC2)c(=O)[nH]n2cnnc12.
What is the InChIKey of 8-methyl-7-(piperidin-1-ylmethyl)-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one?
The InChIKey is GOXOUJHUEIPIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-9-10(7-16-5-3-2-4-6-16)12(18)15-17-8-13-14-11(9)17/h8H,2-7H2,1H3,(H,15,18).
What are the key properties of 8-methyl-7-(piperidin-1-ylmethyl)-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one?
8-methyl-7-(piperidin-1-ylmethyl)-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one has a molecular weight of 247.30 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-7-(piperidin-1-ylmethyl)-5H-[1,2,4]triazolo[4,3-b]pyridazin-6-one is sourced from PubChem (CID 18527884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).