6-[[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-1,3-benzothiazol-2-amine

C15H13N7S2 — CID 87564016

About 6-[[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-1,3-benzothiazol-2-amine

6-[[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-1,3-benzothiazol-2-amine (PubChem CID 87564016) has the molecular formula C15H13N7S2 and a molecular weight of 355.45 g/mol. Its IUPAC name is 6-[[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-1,3-benzothiazol-2-amine.

Molecular Properties

• Compound Name: 6-[[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-1,3-benzothiazol-2-amine
• PubChem CID: 87564016
• Molecular Formula: C15H13N7S2
• Molecular Weight: 355.45 g/mol
• Exact Mass: 355.07
• IUPAC Name: 6-[[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-1,3-benzothiazol-2-amine
• SMILES: Nc1nc2ccc(Sc3nnc4ccc(NC5CC5)nn34)cc2s1
• InChI: InChI=1S/C15H13N7S2/c16-14-18-10-4-3-9(7-11(10)24-14)23-15-20-19-13-6-5-12(21-22(13)15)17-8-1-2-8/h3-8H,1-2H2,(H2,16,18)(H,17,21)
• InChIKey: AWUXKCVBLRNGHP-UHFFFAOYSA-N
• XLogP: 3.04
• TPSA: 94.02 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	355.45
LogP ≤ 5	3.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-1,3-benzothiazol-2-amine?

The IUPAC name of 6-[[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-1,3-benzothiazol-2-amine (CID 87564016) is 6-[[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-1,3-benzothiazol-2-amine.

What is the SMILES notation for 6-[[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-1,3-benzothiazol-2-amine?

The canonical SMILES for 6-[[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-1,3-benzothiazol-2-amine is Nc1nc2ccc(Sc3nnc4ccc(NC5CC5)nn34)cc2s1.

What is the InChIKey of 6-[[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-1,3-benzothiazol-2-amine?

The InChIKey is AWUXKCVBLRNGHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N7S2/c16-14-18-10-4-3-9(7-11(10)24-14)23-15-20-19-13-6-5-12(21-22(13)15)17-8-1-2-8/h3-8H,1-2H2,(H2,16,18)(H,17,21).

What are the key properties of 6-[[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-1,3-benzothiazol-2-amine?

6-[[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-1,3-benzothiazol-2-amine has a molecular weight of 355.45 g/mol, XLogP of 3.04, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[6-(cyclopropylamino)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]sulfanyl]-1,3-benzothiazol-2-amine is sourced from PubChem (CID 87564016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).