1-(8-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-one

C11H13N5O — CID 18950549

IUPAC1-(8-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-one
SMILESCc1cc(N2CCC(=O)CC2)nn2cnnc12
InChIInChI=1S/C11H13N5O/c1-8-6-10(14-16-7-12-13-11(8)16)15-4-2-9(17)3-5-15/h6-7H,2-5H2,1H3
InChIKeyLOSXVCZAPORXTR-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.60
Rot. Bonds1

About 1-(8-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-one

1-(8-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-one (PubChem CID 18950549) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 1-(8-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-one.

Molecular Properties

Compound Name1-(8-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-one
PubChem CID18950549
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name1-(8-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-one
SMILESCc1cc(N2CCC(=O)CC2)nn2cnnc12
InChIInChI=1S/C11H13N5O/c1-8-6-10(14-16-7-12-13-11(8)16)15-4-2-9(17)3-5-15/h6-7H,2-5H2,1H3
InChIKeyLOSXVCZAPORXTR-UHFFFAOYSA-N
XLogP0.60
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(8-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-one?
The IUPAC name of 1-(8-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-one (CID 18950549) is 1-(8-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-one.
What is the SMILES notation for 1-(8-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-one?
The canonical SMILES for 1-(8-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-one is Cc1cc(N2CCC(=O)CC2)nn2cnnc12.
What is the InChIKey of 1-(8-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-one?
The InChIKey is LOSXVCZAPORXTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-8-6-10(14-16-7-12-13-11(8)16)15-4-2-9(17)3-5-15/h6-7H,2-5H2,1H3.
What are the key properties of 1-(8-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-one?
1-(8-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-one has a molecular weight of 231.26 g/mol, XLogP of 0.60, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(8-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidin-4-one is sourced from PubChem (CID 18950549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).