4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide

C17H17N5O4S — CID 108798517

About 4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide

4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide (PubChem CID 108798517) has the molecular formula C17H17N5O4S and a molecular weight of 387.42 g/mol. Its IUPAC name is 4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide.

Molecular Properties

• Compound Name: 4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide
• PubChem CID: 108798517
• Molecular Formula: C17H17N5O4S
• Molecular Weight: 387.42 g/mol
• Exact Mass: 387.10
• IUPAC Name: 4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide
• SMILES: CCCc1nnc(NC(=O)c2nn(-c3ccccc3OC)c(=O)cc2O)s1
• InChI: InChI=1S/C17H17N5O4S/c1-3-6-13-19-20-17(27-13)18-16(25)15-11(23)9-14(24)22(21-15)10-7-4-5-8-12(10)26-2/h4-5,7-9,23H,3,6H2,1-2H3,(H,18,20,25)
• InChIKey: DDQMBCPDSTYYLG-UHFFFAOYSA-N
• XLogP: 2.00
• TPSA: 119.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.42
LogP ≤ 5	2.00
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide?

The IUPAC name of 4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide (CID 108798517) is 4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide.

What is the SMILES notation for 4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide?

The canonical SMILES for 4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide is CCCc1nnc(NC(=O)c2nn(-c3ccccc3OC)c(=O)cc2O)s1.

What is the InChIKey of 4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide?

The InChIKey is DDQMBCPDSTYYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O4S/c1-3-6-13-19-20-17(27-13)18-16(25)15-11(23)9-14(24)22(21-15)10-7-4-5-8-12(10)26-2/h4-5,7-9,23H,3,6H2,1-2H3,(H,18,20,25).

What are the key properties of 4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide?

4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide has a molecular weight of 387.42 g/mol, XLogP of 2.00, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-1-(2-methoxyphenyl)-6-oxo-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 108798517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).