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

C15H19N5S — CID 133488471

IUPAC3-tert-butyl-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC(C)(C)c1nnc2ccc(NCCc3cccs3)nn12
InChIInChI=1S/C15H19N5S/c1-15(2,3)14-18-17-13-7-6-12(19-20(13)14)16-9-8-11-5-4-10-21-11/h4-7,10H,8-9H2,1-3H3,(H,16,19)
InChIKeyALBVGFAQSPGSRK-UHFFFAOYSA-N
MW301.42 g/mol
LogP3.14
Rot. Bonds4

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

3-tert-butyl-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 133488471) has the molecular formula C15H19N5S and a molecular weight of 301.42 g/mol. Its IUPAC name is 3-tert-butyl-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-tert-butyl-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID133488471
Molecular FormulaC15H19N5S
Molecular Weight301.42 g/mol
Exact Mass301.14
IUPAC Name3-tert-butyl-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESCC(C)(C)c1nnc2ccc(NCCc3cccs3)nn12
InChIInChI=1S/C15H19N5S/c1-15(2,3)14-18-17-13-7-6-12(19-20(13)14)16-9-8-11-5-4-10-21-11/h4-7,10H,8-9H2,1-3H3,(H,16,19)
InChIKeyALBVGFAQSPGSRK-UHFFFAOYSA-N
XLogP3.14
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-tert-butyl-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine with MolForge

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Related Compounds

N-(2-thiophen-2-ylethyl)tetrazolo[1,5-b]pyridazin-6-amine
CID 47136338
3-tert-butyl-N-(2-morpholin-4-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133487996
N-(2-thiophen-2-ylethyl)-5-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]sulfanyl]-1,3,4-thiadiazol-2-amine
CID 26021497
3-tert-butyl-N-[(2-fluorophenyl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133488234
3-[3-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propyl]-1,4-dihydro-1,2,4-triazol-5-one
CID 137267431
N-(2-thiophen-2-ylethyl)pyridazin-3-amine
CID 62481413
N-methyl-N-[2-[[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]ethyl]thiophene-2-sulfonamide
CID 133387638
3-tert-butyl-N-(2-methyl-2-pyridin-3-ylpropyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 136547851
N-[2-[(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]ethyl]-4-methylbenzenesulfonamide
CID 133489213
3-tert-butyl-N-[3-(2,3-dihydroindol-1-yl)propyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133489463
2-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 62786037
3-tert-butyl-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133488896

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-tert-butyl-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 133488471) is 3-tert-butyl-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-tert-butyl-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-tert-butyl-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is CC(C)(C)c1nnc2ccc(NCCc3cccs3)nn12.
What is the InChIKey of 3-tert-butyl-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is ALBVGFAQSPGSRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5S/c1-15(2,3)14-18-17-13-7-6-12(19-20(13)14)16-9-8-11-5-4-10-21-11/h4-7,10H,8-9H2,1-3H3,(H,16,19).
What are the key properties of 3-tert-butyl-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-tert-butyl-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 301.42 g/mol, XLogP of 3.14, 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-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 133488471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).