8-oxo-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-6,7-dihydro-5H-naphthalene-2-sulfonamide

C26H20N6O3S — CID 16873819

About 8-oxo-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-6,7-dihydro-5H-naphthalene-2-sulfonamide

8-oxo-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-6,7-dihydro-5H-naphthalene-2-sulfonamide (PubChem CID 16873819) has the molecular formula C26H20N6O3S and a molecular weight of 496.55 g/mol. Its IUPAC name is 8-oxo-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-6,7-dihydro-5H-naphthalene-2-sulfonamide.

Molecular Properties

• Compound Name: 8-oxo-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-6,7-dihydro-5H-naphthalene-2-sulfonamide
• PubChem CID: 16873819
• Molecular Formula: C26H20N6O3S
• Molecular Weight: 496.55 g/mol
• Exact Mass: 496.13
• IUPAC Name: 8-oxo-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-6,7-dihydro-5H-naphthalene-2-sulfonamide
• SMILES: O=C1CCCc2ccc(S(=O)(=O)Nc3cccc(-c4ccc5nnc(-c6ccccn6)n5n4)c3)cc21
• InChI: InChI=1S/C26H20N6O3S/c33-24-9-4-5-17-10-11-20(16-21(17)24)36(34,35)31-19-7-3-6-18(15-19)22-12-13-25-28-29-26(32(25)30-22)23-8-1-2-14-27-23/h1-3,6-8,10-16,31H,4-5,9H2
• InChIKey: UXASTOKZNKCWED-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 119.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	496.55
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 8-oxo-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-6,7-dihydro-5H-naphthalene-2-sulfonamide?

The IUPAC name of 8-oxo-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-6,7-dihydro-5H-naphthalene-2-sulfonamide (CID 16873819) is 8-oxo-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-6,7-dihydro-5H-naphthalene-2-sulfonamide.

What is the SMILES notation for 8-oxo-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-6,7-dihydro-5H-naphthalene-2-sulfonamide?

The canonical SMILES for 8-oxo-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-6,7-dihydro-5H-naphthalene-2-sulfonamide is O=C1CCCc2ccc(S(=O)(=O)Nc3cccc(-c4ccc5nnc(-c6ccccn6)n5n4)c3)cc21.

What is the InChIKey of 8-oxo-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-6,7-dihydro-5H-naphthalene-2-sulfonamide?

The InChIKey is UXASTOKZNKCWED-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N6O3S/c33-24-9-4-5-17-10-11-20(16-21(17)24)36(34,35)31-19-7-3-6-18(15-19)22-12-13-25-28-29-26(32(25)30-22)23-8-1-2-14-27-23/h1-3,6-8,10-16,31H,4-5,9H2.

What are the key properties of 8-oxo-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-6,7-dihydro-5H-naphthalene-2-sulfonamide?

8-oxo-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-6,7-dihydro-5H-naphthalene-2-sulfonamide has a molecular weight of 496.55 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 8-oxo-N-[3-(3-pyridin-2-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]-6,7-dihydro-5H-naphthalene-2-sulfonamide is sourced from PubChem (CID 16873819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).