6-(3,5-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine

C12H17N5 — CID 6619949

IUPAC6-(3,5-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC1CC(C)CN(c2ccc3nncn3n2)C1
InChIInChI=1S/C12H17N5/c1-9-5-10(2)7-16(6-9)12-4-3-11-14-13-8-17(11)15-12/h3-4,8-10H,5-7H2,1-2H3
InChIKeyYGIAVAXKAUOOQD-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.61
Rot. Bonds1

About 6-(3,5-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine

6-(3,5-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 6619949) has the molecular formula C12H17N5 and a molecular weight of 231.30 g/mol. Its IUPAC name is 6-(3,5-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(3,5-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID6619949
Molecular FormulaC12H17N5
Molecular Weight231.30 g/mol
Exact Mass231.15
IUPAC Name6-(3,5-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC1CC(C)CN(c2ccc3nncn3n2)C1
InChIInChI=1S/C12H17N5/c1-9-5-10(2)7-16(6-9)12-4-3-11-14-13-8-17(11)15-12/h3-4,8-10H,5-7H2,1-2H3
InChIKeyYGIAVAXKAUOOQD-UHFFFAOYSA-N
XLogP1.61
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(3,5-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 6619949) is 6-(3,5-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(3,5-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(3,5-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine is CC1CC(C)CN(c2ccc3nncn3n2)C1.
What is the InChIKey of 6-(3,5-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is YGIAVAXKAUOOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5/c1-9-5-10(2)7-16(6-9)12-4-3-11-14-13-8-17(11)15-12/h3-4,8-10H,5-7H2,1-2H3.
What are the key properties of 6-(3,5-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
6-(3,5-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 231.30 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpiperidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 6619949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).