6-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine

C15H15N9 — CID 24590309

IUPAC6-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
SMILESc1ccn2c(C3CCCN(c4ccc5nnnn5n4)C3)nnc2c1
InChIInChI=1S/C15H15N9/c1-2-9-23-12(5-1)16-18-15(23)11-4-3-8-22(10-11)14-7-6-13-17-20-21-24(13)19-14/h1-2,5-7,9,11H,3-4,8,10H2
InChIKeyOUYDLHFJLLPCCO-UHFFFAOYSA-N
MW321.35 g/mol
LogP0.95
Rot. Bonds2

About 6-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine

6-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine (PubChem CID 24590309) has the molecular formula C15H15N9 and a molecular weight of 321.35 g/mol. Its IUPAC name is 6-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine.

Molecular Properties

Compound Name6-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
PubChem CID24590309
Molecular FormulaC15H15N9
Molecular Weight321.35 g/mol
Exact Mass321.15
IUPAC Name6-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine
SMILESc1ccn2c(C3CCCN(c4ccc5nnnn5n4)C3)nnc2c1
InChIInChI=1S/C15H15N9/c1-2-9-23-12(5-1)16-18-15(23)11-4-3-8-22(10-11)14-7-6-13-17-20-21-24(13)19-14/h1-2,5-7,9,11H,3-4,8,10H2
InChIKeyOUYDLHFJLLPCCO-UHFFFAOYSA-N
XLogP0.95
TPSA89.40 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine?
The IUPAC name of 6-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine (CID 24590309) is 6-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine.
What is the SMILES notation for 6-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine?
The canonical SMILES for 6-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine is c1ccn2c(C3CCCN(c4ccc5nnnn5n4)C3)nnc2c1.
What is the InChIKey of 6-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine?
The InChIKey is OUYDLHFJLLPCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N9/c1-2-9-23-12(5-1)16-18-15(23)11-4-3-8-22(10-11)14-7-6-13-17-20-21-24(13)19-14/h1-2,5-7,9,11H,3-4,8,10H2.
What are the key properties of 6-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine?
6-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine has a molecular weight of 321.35 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]tetrazolo[1,5-b]pyridazine is sourced from PubChem (CID 24590309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).