N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide

C16H12N8O3S2 — CID 71805108

About N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide

N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide (PubChem CID 71805108) has the molecular formula C16H12N8O3S2 and a molecular weight of 428.46 g/mol. Its IUPAC name is N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
• PubChem CID: 71805108
• Molecular Formula: C16H12N8O3S2
• Molecular Weight: 428.46 g/mol
• Exact Mass: 428.05
• IUPAC Name: N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide
• SMILES: O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(-n2cncn2)nn1
• InChI: InChI=1S/C16H12N8O3S2/c25-15(13-5-6-14(22-21-13)24-10-17-9-19-24)20-11-1-3-12(4-2-11)29(26,27)23-16-18-7-8-28-16/h1-10H,(H,18,23)(H,20,25)
• InChIKey: RTLAMPWSQLMHRR-UHFFFAOYSA-N
• XLogP: 1.57
• TPSA: 144.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	428.46
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide?

The IUPAC name of N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide (CID 71805108) is N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide.

What is the SMILES notation for N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide?

The canonical SMILES for N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1ccc(-n2cncn2)nn1.

What is the InChIKey of N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide?

The InChIKey is RTLAMPWSQLMHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N8O3S2/c25-15(13-5-6-14(22-21-13)24-10-17-9-19-24)20-11-1-3-12(4-2-11)29(26,27)23-16-18-7-8-28-16/h1-10H,(H,18,23)(H,20,25).

What are the key properties of N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide?

N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide has a molecular weight of 428.46 g/mol, XLogP of 1.57, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]-6-(1,2,4-triazol-1-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 71805108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).