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

C19H26N8O — CID 133401379

IUPAC6-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOCc1cc(N2CCN(c3ccc4nncn4n3)CC2)nc(C(C)(C)C)n1
InChIInChI=1S/C19H26N8O/c1-19(2,3)18-21-14(12-28-4)11-17(22-18)26-9-7-25(8-10-26)16-6-5-15-23-20-13-27(15)24-16/h5-6,11,13H,7-10,12H2,1-4H3
InChIKeyJLGUHEBUGPIUEP-UHFFFAOYSA-N
MW382.47 g/mol
LogP1.68
Rot. Bonds4

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

6-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 133401379) has the molecular formula C19H26N8O and a molecular weight of 382.47 g/mol. Its IUPAC name is 6-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

Compound Name6-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
PubChem CID133401379
Molecular FormulaC19H26N8O
Molecular Weight382.47 g/mol
Exact Mass382.22
IUPAC Name6-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
SMILESCOCc1cc(N2CCN(c3ccc4nncn4n3)CC2)nc(C(C)(C)C)n1
InChIInChI=1S/C19H26N8O/c1-19(2,3)18-21-14(12-28-4)11-17(22-18)26-9-7-25(8-10-26)16-6-5-15-23-20-13-27(15)24-16/h5-6,11,13H,7-10,12H2,1-4H3
InChIKeyJLGUHEBUGPIUEP-UHFFFAOYSA-N
XLogP1.68
TPSA84.57 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 6-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The IUPAC name of 6-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine (CID 133401379) is 6-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine.
What is the SMILES notation for 6-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The canonical SMILES for 6-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is COCc1cc(N2CCN(c3ccc4nncn4n3)CC2)nc(C(C)(C)C)n1.
What is the InChIKey of 6-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
The InChIKey is JLGUHEBUGPIUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N8O/c1-19(2,3)18-21-14(12-28-4)11-17(22-18)26-9-7-25(8-10-26)16-6-5-15-23-20-13-27(15)24-16/h5-6,11,13H,7-10,12H2,1-4H3.
What are the key properties of 6-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine?
6-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 382.47 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[2-tert-butyl-6-(methoxymethyl)pyrimidin-4-yl]piperazin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 133401379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).