3-pyridin-2-yl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

C15H12N6S — CID 134806645

IUPAC3-pyridin-2-yl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESc1ccc(-c2nnc3ccc(NCc4cccs4)nn23)nc1
InChIInChI=1S/C15H12N6S/c1-2-8-16-12(5-1)15-19-18-14-7-6-13(20-21(14)15)17-10-11-4-3-9-22-11/h1-9H,10H2,(H,17,20)
InChIKeyFLMXPUSNZQVQDI-UHFFFAOYSA-N
MW308.37 g/mol
LogP2.86
Rot. Bonds4

About 3-pyridin-2-yl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine

3-pyridin-2-yl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (PubChem CID 134806645) has the molecular formula C15H12N6S and a molecular weight of 308.37 g/mol. Its IUPAC name is 3-pyridin-2-yl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.

Molecular Properties

Compound Name3-pyridin-2-yl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
PubChem CID134806645
Molecular FormulaC15H12N6S
Molecular Weight308.37 g/mol
Exact Mass308.08
IUPAC Name3-pyridin-2-yl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
SMILESc1ccc(-c2nnc3ccc(NCc4cccs4)nn23)nc1
InChIInChI=1S/C15H12N6S/c1-2-8-16-12(5-1)15-19-18-14-7-6-13(20-21(14)15)17-10-11-4-3-9-22-11/h1-9H,10H2,(H,17,20)
InChIKeyFLMXPUSNZQVQDI-UHFFFAOYSA-N
XLogP2.86
TPSA68.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-pyridin-2-yl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine with MolForge

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Related Compounds

N-[4-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-2-thiophen-2-ylacetamide
CID 7532584
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 154781604
4-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]benzonitrile
CID 126469830
[4-[6-(thiophen-2-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]phenyl]methanol
CID 58857573
3-tert-butyl-N-(2-thiophen-2-ylethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133488471
5-methyl-N-(thiophen-2-ylmethyl)pyridin-2-amine
CID 43173671
N-(2-azabicyclo[3.3.1]nonan-8-yl)-3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 166304636
N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 71996278
3-[[2-pyridin-2-yl-6-(thiophen-2-ylmethylamino)pyrimidin-4-yl]amino]propanoic acid
CID 56962895
2-[[(3-phenyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)amino]methyl]-3-pyridin-2-ylpropan-1-ol
CID 133335614
2-[[3-(3,5-dichlorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]amino]-N-pyridin-2-ylacetamide
CID 133367595
N-[[4-(methoxymethyl)phenyl]methyl]-3-thiophen-3-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 133489560

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The IUPAC name of 3-pyridin-2-yl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine (CID 134806645) is 3-pyridin-2-yl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine.
What is the SMILES notation for 3-pyridin-2-yl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The canonical SMILES for 3-pyridin-2-yl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is c1ccc(-c2nnc3ccc(NCc4cccs4)nn23)nc1.
What is the InChIKey of 3-pyridin-2-yl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
The InChIKey is FLMXPUSNZQVQDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N6S/c1-2-8-16-12(5-1)15-19-18-14-7-6-13(20-21(14)15)17-10-11-4-3-9-22-11/h1-9H,10H2,(H,17,20).
What are the key properties of 3-pyridin-2-yl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine?
3-pyridin-2-yl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine has a molecular weight of 308.37 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-N-(thiophen-2-ylmethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine is sourced from PubChem (CID 134806645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).