3-methyl-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine

C11H15N5 — CID 869594

IUPAC3-methyl-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1nnc2ccc(N3CCCCC3)nn12
InChIInChI=1S/C11H15N5/c1-9-12-13-10-5-6-11(14-16(9)10)15-7-3-2-4-8-15/h5-6H,2-4,7-8H2,1H3
InChIKeyOKUUFOYWFBRJMV-UHFFFAOYSA-N
MW217.28 g/mol
LogP1.42
Rot. Bonds1

About 3-methyl-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine

3-methyl-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 869594) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 3-methyl-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-methyl-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID869594
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name3-methyl-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCc1nnc2ccc(N3CCCCC3)nn12
InChIInChI=1S/C11H15N5/c1-9-12-13-10-5-6-11(14-16(9)10)15-7-3-2-4-8-15/h5-6H,2-4,7-8H2,1H3
InChIKeyOKUUFOYWFBRJMV-UHFFFAOYSA-N
XLogP1.42
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-methyl-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine (CID 869594) is 3-methyl-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-methyl-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-methyl-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine is Cc1nnc2ccc(N3CCCCC3)nn12.
What is the InChIKey of 3-methyl-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is OKUUFOYWFBRJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c1-9-12-13-10-5-6-11(14-16(9)10)15-7-3-2-4-8-15/h5-6H,2-4,7-8H2,1H3.
What are the key properties of 3-methyl-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine?
3-methyl-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 217.28 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-piperidin-1-yl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 869594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).