5-[[6-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(2-piperidin-2-ylethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile

C19H22N10S — CID 164599251

About 5-[[6-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(2-piperidin-2-ylethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile

5-[[6-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(2-piperidin-2-ylethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 164599251) has the molecular formula C19H22N10S and a molecular weight of 422.52 g/mol. Its IUPAC name is 5-[[6-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(2-piperidin-2-ylethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[[6-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(2-piperidin-2-ylethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
• PubChem CID: 164599251
• Molecular Formula: C19H22N10S
• Molecular Weight: 422.52 g/mol
• Exact Mass: 422.17
• IUPAC Name: 5-[[6-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(2-piperidin-2-ylethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile
• SMILES: Cc1nnc(-c2nnc(Nc3cnc(C#N)cn3)cc2NCCC2CCCCN2)s1
• InChI: InChI=1S/C19H22N10S/c1-12-26-29-19(30-12)18-15(22-7-5-13-4-2-3-6-21-13)8-16(27-28-18)25-17-11-23-14(9-20)10-24-17/h8,10-11,13,21H,2-7H2,1H3,(H2,22,24,25,27)
• InChIKey: GDZAKEWHZVKNNW-UHFFFAOYSA-N
• XLogP: 2.65
• TPSA: 137.22 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	422.52
LogP ≤ 5	2.65
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 5-[[6-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(2-piperidin-2-ylethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile?

The IUPAC name of 5-[[6-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(2-piperidin-2-ylethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile (CID 164599251) is 5-[[6-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(2-piperidin-2-ylethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile.

What is the SMILES notation for 5-[[6-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(2-piperidin-2-ylethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile?

The canonical SMILES for 5-[[6-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(2-piperidin-2-ylethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile is Cc1nnc(-c2nnc(Nc3cnc(C#N)cn3)cc2NCCC2CCCCN2)s1.

What is the InChIKey of 5-[[6-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(2-piperidin-2-ylethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile?

The InChIKey is GDZAKEWHZVKNNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N10S/c1-12-26-29-19(30-12)18-15(22-7-5-13-4-2-3-6-21-13)8-16(27-28-18)25-17-11-23-14(9-20)10-24-17/h8,10-11,13,21H,2-7H2,1H3,(H2,22,24,25,27).

What are the key properties of 5-[[6-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(2-piperidin-2-ylethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile?

5-[[6-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(2-piperidin-2-ylethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 422.52 g/mol, XLogP of 2.65, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[6-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(2-piperidin-2-ylethylamino)pyridazin-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 164599251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).