3-tert-butyl-N-(2-methyl-2-pyridin-3-ylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C18H24N6 — CID 136547851

IUPAC3-tert-butyl-N-(2-methyl-2-pyridin-3-ylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC(C)(C)c1nnc2ccc(NCC(C)(C)c3cccnc3)nn12
InChIInChI=1S/C18H24N6/c1-17(2,3)16-22-21-15-9-8-14(23-24(15)16)20-12-18(4,5)13-7-6-10-19-11-13/h6-11H,12H2,1-5H3,(H,20,23)
InChIKeyVEUMAEQGPUXVLW-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.21
Rot. Bonds4

About 3-tert-butyl-N-(2-methyl-2-pyridin-3-ylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

3-tert-butyl-N-(2-methyl-2-pyridin-3-ylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 136547851) has the molecular formula C18H24N6 and a molecular weight of 324.43 g/mol. Its IUPAC name is 3-tert-butyl-N-(2-methyl-2-pyridin-3-ylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-tert-butyl-N-(2-methyl-2-pyridin-3-ylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID136547851
Molecular FormulaC18H24N6
Molecular Weight324.43 g/mol
Exact Mass324.21
IUPAC Name3-tert-butyl-N-(2-methyl-2-pyridin-3-ylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC(C)(C)c1nnc2ccc(NCC(C)(C)c3cccnc3)nn12
InChIInChI=1S/C18H24N6/c1-17(2,3)16-22-21-15-9-8-14(23-24(15)16)20-12-18(4,5)13-7-6-10-19-11-13/h6-11H,12H2,1-5H3,(H,20,23)
InChIKeyVEUMAEQGPUXVLW-UHFFFAOYSA-N
XLogP3.21
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(2-methyl-2-pyridin-3-ylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-tert-butyl-N-(2-methyl-2-pyridin-3-ylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 136547851) is 3-tert-butyl-N-(2-methyl-2-pyridin-3-ylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-tert-butyl-N-(2-methyl-2-pyridin-3-ylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-tert-butyl-N-(2-methyl-2-pyridin-3-ylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CC(C)(C)c1nnc2ccc(NCC(C)(C)c3cccnc3)nn12.
What is the InChIKey of 3-tert-butyl-N-(2-methyl-2-pyridin-3-ylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is VEUMAEQGPUXVLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6/c1-17(2,3)16-22-21-15-9-8-14(23-24(15)16)20-12-18(4,5)13-7-6-10-19-11-13/h6-11H,12H2,1-5H3,(H,20,23).
What are the key properties of 3-tert-butyl-N-(2-methyl-2-pyridin-3-ylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-tert-butyl-N-(2-methyl-2-pyridin-3-ylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 324.43 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(2-methyl-2-pyridin-3-ylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 136547851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).