6-(2-azabicyclo[2.2.1]heptan-2-yl)-3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazine

C15H21N5 — CID 133490229

IUPAC6-(2-azabicyclo[2.2.1]heptan-2-yl)-3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC(C)(C)c1nnc2ccc(N3CC4CCC3C4)nn12
InChIInChI=1S/C15H21N5/c1-15(2,3)14-17-16-12-6-7-13(18-20(12)14)19-9-10-4-5-11(19)8-10/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKeyLCYUJKFCVNQEQI-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.41
Rot. Bonds1

About 6-(2-azabicyclo[2.2.1]heptan-2-yl)-3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazine

6-(2-azabicyclo[2.2.1]heptan-2-yl)-3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 133490229) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is 6-(2-azabicyclo[2.2.1]heptan-2-yl)-3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-(2-azabicyclo[2.2.1]heptan-2-yl)-3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID133490229
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC Name6-(2-azabicyclo[2.2.1]heptan-2-yl)-3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC(C)(C)c1nnc2ccc(N3CC4CCC3C4)nn12
InChIInChI=1S/C15H21N5/c1-15(2,3)14-17-16-12-6-7-13(18-20(12)14)19-9-10-4-5-11(19)8-10/h6-7,10-11H,4-5,8-9H2,1-3H3
InChIKeyLCYUJKFCVNQEQI-UHFFFAOYSA-N
XLogP2.41
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-azabicyclo[2.2.1]heptan-2-yl)-3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-(2-azabicyclo[2.2.1]heptan-2-yl)-3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 133490229) is 6-(2-azabicyclo[2.2.1]heptan-2-yl)-3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-(2-azabicyclo[2.2.1]heptan-2-yl)-3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-(2-azabicyclo[2.2.1]heptan-2-yl)-3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazine is CC(C)(C)c1nnc2ccc(N3CC4CCC3C4)nn12.
What is the InChIKey of 6-(2-azabicyclo[2.2.1]heptan-2-yl)-3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is LCYUJKFCVNQEQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-15(2,3)14-17-16-12-6-7-13(18-20(12)14)19-9-10-4-5-11(19)8-10/h6-7,10-11H,4-5,8-9H2,1-3H3.
What are the key properties of 6-(2-azabicyclo[2.2.1]heptan-2-yl)-3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazine?
6-(2-azabicyclo[2.2.1]heptan-2-yl)-3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 271.37 g/mol, XLogP of 2.41, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-azabicyclo[2.2.1]heptan-2-yl)-3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 133490229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).