N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propane-1-sulfonamide

C19H18N6O2S — CID 7524267

About N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propane-1-sulfonamide

N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propane-1-sulfonamide (PubChem CID 7524267) has the molecular formula C19H18N6O2S and a molecular weight of 394.46 g/mol. Its IUPAC name is N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propane-1-sulfonamide.

Molecular Properties

• Compound Name: N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propane-1-sulfonamide
• PubChem CID: 7524267
• Molecular Formula: C19H18N6O2S
• Molecular Weight: 394.46 g/mol
• Exact Mass: 394.12
• IUPAC Name: N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propane-1-sulfonamide
• SMILES: CCCS(=O)(=O)Nc1cccc(-c2ccc3nnc(-c4ccccn4)n3n2)c1
• InChI: InChI=1S/C19H18N6O2S/c1-2-12-28(26,27)24-15-7-5-6-14(13-15)16-9-10-18-21-22-19(25(18)23-16)17-8-3-4-11-20-17/h3-11,13,24H,2,12H2,1H3
• InChIKey: QNUMVKFTKGTLDA-UHFFFAOYSA-N
• XLogP: 3.01
• TPSA: 102.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	394.46
LogP ≤ 5	3.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propane-1-sulfonamide?

The IUPAC name of N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propane-1-sulfonamide (CID 7524267) is N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propane-1-sulfonamide.

What is the SMILES notation for N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propane-1-sulfonamide?

The canonical SMILES for N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1cccc(-c2ccc3nnc(-c4ccccn4)n3n2)c1.

What is the InChIKey of N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propane-1-sulfonamide?

The InChIKey is QNUMVKFTKGTLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2S/c1-2-12-28(26,27)24-15-7-5-6-14(13-15)16-9-10-18-21-22-19(25(18)23-16)17-8-3-4-11-20-17/h3-11,13,24H,2,12H2,1H3.

What are the key properties of N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propane-1-sulfonamide?

N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propane-1-sulfonamide has a molecular weight of 394.46 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 7524267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).