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

C15H23N5 — CID 133492502

IUPAC3-tert-butyl-6-(2,3-dimethylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC1CCN(c2ccc3nnc(C(C)(C)C)n3n2)C1C
InChIInChI=1S/C15H23N5/c1-10-8-9-19(11(10)2)13-7-6-12-16-17-14(15(3,4)5)20(12)18-13/h6-7,10-11H,8-9H2,1-5H3
InChIKeyOROLSTSEJZEKTL-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.66
Rot. Bonds1

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

3-tert-butyl-6-(2,3-dimethylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 133492502) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-tert-butyl-6-(2,3-dimethylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name3-tert-butyl-6-(2,3-dimethylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID133492502
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name3-tert-butyl-6-(2,3-dimethylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCC1CCN(c2ccc3nnc(C(C)(C)C)n3n2)C1C
InChIInChI=1S/C15H23N5/c1-10-8-9-19(11(10)2)13-7-6-12-16-17-14(15(3,4)5)20(12)18-13/h6-7,10-11H,8-9H2,1-5H3
InChIKeyOROLSTSEJZEKTL-UHFFFAOYSA-N
XLogP2.66
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-6-(2,3-dimethylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 3-tert-butyl-6-(2,3-dimethylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine (CID 133492502) is 3-tert-butyl-6-(2,3-dimethylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 3-tert-butyl-6-(2,3-dimethylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 3-tert-butyl-6-(2,3-dimethylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine is CC1CCN(c2ccc3nnc(C(C)(C)C)n3n2)C1C.
What is the InChIKey of 3-tert-butyl-6-(2,3-dimethylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is OROLSTSEJZEKTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-10-8-9-19(11(10)2)13-7-6-12-16-17-14(15(3,4)5)20(12)18-13/h6-7,10-11H,8-9H2,1-5H3.
What are the key properties of 3-tert-butyl-6-(2,3-dimethylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine?
3-tert-butyl-6-(2,3-dimethylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 273.38 g/mol, XLogP of 2.66, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-6-(2,3-dimethylpyrrolidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 133492502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).