3-tert-butyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C15H24N6O — CID 133487996

IUPAC3-tert-butyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC(C)(C)c1nnc2ccc(NCCN3CCOCC3)nn12
InChIInChI=1S/C15H24N6O/c1-15(2,3)14-18-17-13-5-4-12(19-21(13)14)16-6-7-20-8-10-22-11-9-20/h4-5H,6-11H2,1-3H3,(H,16,19)
InChIKeyFZGKDPHZRIECAH-UHFFFAOYSA-N
MW304.40 g/mol
LogP1.17
Rot. Bonds4

About 3-tert-butyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

3-tert-butyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 133487996) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is 3-tert-butyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-tert-butyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID133487996
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC Name3-tert-butyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC(C)(C)c1nnc2ccc(NCCN3CCOCC3)nn12
InChIInChI=1S/C15H24N6O/c1-15(2,3)14-18-17-13-5-4-12(19-21(13)14)16-6-7-20-8-10-22-11-9-20/h4-5H,6-11H2,1-3H3,(H,16,19)
InChIKeyFZGKDPHZRIECAH-UHFFFAOYSA-N
XLogP1.17
TPSA67.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-tert-butyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 133487996) is 3-tert-butyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-tert-butyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-tert-butyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CC(C)(C)c1nnc2ccc(NCCN3CCOCC3)nn12.
What is the InChIKey of 3-tert-butyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is FZGKDPHZRIECAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O/c1-15(2,3)14-18-17-13-5-4-12(19-21(13)14)16-6-7-20-8-10-22-11-9-20/h4-5H,6-11H2,1-3H3,(H,16,19).
What are the key properties of 3-tert-butyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-tert-butyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 304.40 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 133487996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).