1-(6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-4-pyridin-3-ylpiperidin-4-ol

C17H20N6O — CID 176505388

IUPAC1-(6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-4-pyridin-3-ylpiperidin-4-ol
SMILESCc1nn2cnnc2c(N2CCC(O)(c3cccnc3)CC2)c1C
InChIInChI=1S/C17H20N6O/c1-12-13(2)21-23-11-19-20-16(23)15(12)22-8-5-17(24,6-9-22)14-4-3-7-18-10-14/h3-4,7,10-11,24H,5-6,8-9H2,1-2H3
InChIKeyNEUQULUEIHJPHE-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.62
Rot. Bonds2

About 1-(6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-4-pyridin-3-ylpiperidin-4-ol

1-(6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-4-pyridin-3-ylpiperidin-4-ol (PubChem CID 176505388) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is 1-(6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-4-pyridin-3-ylpiperidin-4-ol.

Molecular Properties

Compound Name1-(6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-4-pyridin-3-ylpiperidin-4-ol
PubChem CID176505388
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name1-(6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-4-pyridin-3-ylpiperidin-4-ol
SMILESCc1nn2cnnc2c(N2CCC(O)(c3cccnc3)CC2)c1C
InChIInChI=1S/C17H20N6O/c1-12-13(2)21-23-11-19-20-16(23)15(12)22-8-5-17(24,6-9-22)14-4-3-7-18-10-14/h3-4,7,10-11,24H,5-6,8-9H2,1-2H3
InChIKeyNEUQULUEIHJPHE-UHFFFAOYSA-N
XLogP1.62
TPSA79.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-(6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-4-pyridin-3-ylpiperidin-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-4-pyridin-3-ylpiperidin-4-ol?
The IUPAC name of 1-(6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-4-pyridin-3-ylpiperidin-4-ol (CID 176505388) is 1-(6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-4-pyridin-3-ylpiperidin-4-ol.
What is the SMILES notation for 1-(6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-4-pyridin-3-ylpiperidin-4-ol?
The canonical SMILES for 1-(6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-4-pyridin-3-ylpiperidin-4-ol is Cc1nn2cnnc2c(N2CCC(O)(c3cccnc3)CC2)c1C.
What is the InChIKey of 1-(6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-4-pyridin-3-ylpiperidin-4-ol?
The InChIKey is NEUQULUEIHJPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-12-13(2)21-23-11-19-20-16(23)15(12)22-8-5-17(24,6-9-22)14-4-3-7-18-10-14/h3-4,7,10-11,24H,5-6,8-9H2,1-2H3.
What are the key properties of 1-(6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-4-pyridin-3-ylpiperidin-4-ol?
1-(6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-4-pyridin-3-ylpiperidin-4-ol has a molecular weight of 324.39 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)-4-pyridin-3-ylpiperidin-4-ol is sourced from PubChem (CID 176505388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).