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

C17H20N6O — CID 176502793

IUPAC[1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperidin-4-yl]-pyridin-2-ylmethanol
SMILESCc1cc(N2CCC(C(O)c3ccccn3)CC2)c2nncn2n1
InChIInChI=1S/C17H20N6O/c1-12-10-15(17-20-19-11-23(17)21-12)22-8-5-13(6-9-22)16(24)14-4-2-3-7-18-14/h2-4,7,10-11,13,16,24H,5-6,8-9H2,1H3
InChIKeyCVCCFBYFGUKEHT-UHFFFAOYSA-N
MW324.39 g/mol
LogP1.78
Rot. Bonds3

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

[1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperidin-4-yl]-pyridin-2-ylmethanol (PubChem CID 176502793) has the molecular formula C17H20N6O and a molecular weight of 324.39 g/mol. Its IUPAC name is [1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperidin-4-yl]-pyridin-2-ylmethanol.

Molecular Properties

Compound Name[1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperidin-4-yl]-pyridin-2-ylmethanol
PubChem CID176502793
Molecular FormulaC17H20N6O
Molecular Weight324.39 g/mol
Exact Mass324.17
IUPAC Name[1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperidin-4-yl]-pyridin-2-ylmethanol
SMILESCc1cc(N2CCC(C(O)c3ccccn3)CC2)c2nncn2n1
InChIInChI=1S/C17H20N6O/c1-12-10-15(17-20-19-11-23(17)21-12)22-8-5-13(6-9-22)16(24)14-4-2-3-7-18-14/h2-4,7,10-11,13,16,24H,5-6,8-9H2,1H3
InChIKeyCVCCFBYFGUKEHT-UHFFFAOYSA-N
XLogP1.78
TPSA79.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperidin-4-yl]-pyridin-2-ylmethanol?
The IUPAC name of [1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperidin-4-yl]-pyridin-2-ylmethanol (CID 176502793) is [1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperidin-4-yl]-pyridin-2-ylmethanol.
What is the SMILES notation for [1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperidin-4-yl]-pyridin-2-ylmethanol?
The canonical SMILES for [1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperidin-4-yl]-pyridin-2-ylmethanol is Cc1cc(N2CCC(C(O)c3ccccn3)CC2)c2nncn2n1.
What is the InChIKey of [1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperidin-4-yl]-pyridin-2-ylmethanol?
The InChIKey is CVCCFBYFGUKEHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O/c1-12-10-15(17-20-19-11-23(17)21-12)22-8-5-13(6-9-22)16(24)14-4-2-3-7-18-14/h2-4,7,10-11,13,16,24H,5-6,8-9H2,1H3.
What are the key properties of [1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperidin-4-yl]-pyridin-2-ylmethanol?
[1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperidin-4-yl]-pyridin-2-ylmethanol has a molecular weight of 324.39 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-8-yl)piperidin-4-yl]-pyridin-2-ylmethanol is sourced from PubChem (CID 176502793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).