6-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

C13H15N5OS — CID 66283802

IUPAC6-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCC(C)C(Nc1ccc2n[nH]c(=O)n2n1)c1cccs1
InChIInChI=1S/C13H15N5OS/c1-8(2)12(9-4-3-7-20-9)14-10-5-6-11-15-16-13(19)18(11)17-10/h3-8,12H,1-2H3,(H,14,17)(H,16,19)
InChIKeyPETALOGTBZPJFR-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.29
Rot. Bonds4

About 6-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one

6-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (PubChem CID 66283802) has the molecular formula C13H15N5OS and a molecular weight of 289.36 g/mol. Its IUPAC name is 6-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.

Molecular Properties

Compound Name6-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
PubChem CID66283802
Molecular FormulaC13H15N5OS
Molecular Weight289.36 g/mol
Exact Mass289.10
IUPAC Name6-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
SMILESCC(C)C(Nc1ccc2n[nH]c(=O)n2n1)c1cccs1
InChIInChI=1S/C13H15N5OS/c1-8(2)12(9-4-3-7-20-9)14-10-5-6-11-15-16-13(19)18(11)17-10/h3-8,12H,1-2H3,(H,14,17)(H,16,19)
InChIKeyPETALOGTBZPJFR-UHFFFAOYSA-N
XLogP2.29
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one with MolForge

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Related Compounds

6-(3,3-dimethylbutan-2-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 113457873
2-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide
CID 66283991
6-[(2-amino-3-methylbutyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283629
6-(3-hydroxybutylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 21494313
6-[1-(2-bicyclo[2.2.1]heptanyl)ethylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283400
6-[(1-chloro-3-phenylpropan-2-yl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282290
6-(2-methylbut-3-yn-2-ylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282835
6-(3-aminopentylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 113498110
6-(2-phenylethylamino)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66283792
6-(3-bromopentan-2-yl)-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 66282288
2,2-dimethyl-3-[(3-oxo-2H-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]propanamide
CID 103755915
6-[(1-ethylcyclopropyl)methylamino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one
CID 113255968

Frequently Asked Questions

What is the IUPAC name of 6-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The IUPAC name of 6-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one (CID 66283802) is 6-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one.
What is the SMILES notation for 6-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The canonical SMILES for 6-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is CC(C)C(Nc1ccc2n[nH]c(=O)n2n1)c1cccs1.
What is the InChIKey of 6-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
The InChIKey is PETALOGTBZPJFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5OS/c1-8(2)12(9-4-3-7-20-9)14-10-5-6-11-15-16-13(19)18(11)17-10/h3-8,12H,1-2H3,(H,14,17)(H,16,19).
What are the key properties of 6-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one?
6-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one has a molecular weight of 289.36 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-methyl-1-thiophen-2-ylpropyl)amino]-2H-[1,2,4]triazolo[4,3-b]pyridazin-3-one is sourced from PubChem (CID 66283802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).