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

C11H16N6O — CID 70325047

IUPAC6-(3-aminopiperidin-1-yl)-2-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCn1nc2ccc(N3CCCC(N)C3)nn2c1=O
InChIInChI=1S/C11H16N6O/c1-15-11(18)17-10(13-15)5-4-9(14-17)16-6-2-3-8(12)7-16/h4-5,8H,2-3,6-7,12H2,1H3
InChIKeyMLSWVNAJUYGDJB-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.64
Rot. Bonds1

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

6-(3-aminopiperidin-1-yl)-2-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 70325047) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 6-(3-aminopiperidin-1-yl)-2-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-(3-aminopiperidin-1-yl)-2-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID70325047
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name6-(3-aminopiperidin-1-yl)-2-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCn1nc2ccc(N3CCCC(N)C3)nn2c1=O
InChIInChI=1S/C11H16N6O/c1-15-11(18)17-10(13-15)5-4-9(14-17)16-6-2-3-8(12)7-16/h4-5,8H,2-3,6-7,12H2,1H3
InChIKeyMLSWVNAJUYGDJB-UHFFFAOYSA-N
XLogP-0.64
TPSA81.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3-aminopiperidin-1-yl)-2-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-(3-aminopiperidin-1-yl)-2-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 70325047) is 6-(3-aminopiperidin-1-yl)-2-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-(3-aminopiperidin-1-yl)-2-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-(3-aminopiperidin-1-yl)-2-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-one is Cn1nc2ccc(N3CCCC(N)C3)nn2c1=O.
What is the InChIKey of 6-(3-aminopiperidin-1-yl)-2-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is MLSWVNAJUYGDJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-15-11(18)17-10(13-15)5-4-9(14-17)16-6-2-3-8(12)7-16/h4-5,8H,2-3,6-7,12H2,1H3.
What are the key properties of 6-(3-aminopiperidin-1-yl)-2-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-(3-aminopiperidin-1-yl)-2-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 248.29 g/mol, XLogP of -0.64, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-aminopiperidin-1-yl)-2-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 70325047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).