5-[[5-[(2,6-dimethylpiperidin-4-yl)methylamino]-6-propan-2-ylpyridazin-3-yl]amino]pyrazine-2-carbonitrile

C20H28N8 — CID 155594902

About 5-[[5-[(2,6-dimethylpiperidin-4-yl)methylamino]-6-propan-2-ylpyridazin-3-yl]amino]pyrazine-2-carbonitrile

5-[[5-[(2,6-dimethylpiperidin-4-yl)methylamino]-6-propan-2-ylpyridazin-3-yl]amino]pyrazine-2-carbonitrile (PubChem CID 155594902) has the molecular formula C20H28N8 and a molecular weight of 380.50 g/mol. Its IUPAC name is 5-[[5-[(2,6-dimethylpiperidin-4-yl)methylamino]-6-propan-2-ylpyridazin-3-yl]amino]pyrazine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[[5-[(2,6-dimethylpiperidin-4-yl)methylamino]-6-propan-2-ylpyridazin-3-yl]amino]pyrazine-2-carbonitrile
• PubChem CID: 155594902
• Molecular Formula: C20H28N8
• Molecular Weight: 380.50 g/mol
• Exact Mass: 380.24
• IUPAC Name: 5-[[5-[(2,6-dimethylpiperidin-4-yl)methylamino]-6-propan-2-ylpyridazin-3-yl]amino]pyrazine-2-carbonitrile
• SMILES: CC1CC(CNc2cc(Nc3cnc(C#N)cn3)nnc2C(C)C)CC(C)N1
• InChI: InChI=1S/C20H28N8/c1-12(2)20-17(23-9-15-5-13(3)25-14(4)6-15)7-18(27-28-20)26-19-11-22-16(8-21)10-24-19/h7,10-15,25H,5-6,9H2,1-4H3,(H2,23,24,26,27)
• InChIKey: QLDFYLGHRLBBNX-UHFFFAOYSA-N
• XLogP: 3.19
• TPSA: 111.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	380.50
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[[5-[(2,6-dimethylpiperidin-4-yl)methylamino]-6-propan-2-ylpyridazin-3-yl]amino]pyrazine-2-carbonitrile?

The IUPAC name of 5-[[5-[(2,6-dimethylpiperidin-4-yl)methylamino]-6-propan-2-ylpyridazin-3-yl]amino]pyrazine-2-carbonitrile (CID 155594902) is 5-[[5-[(2,6-dimethylpiperidin-4-yl)methylamino]-6-propan-2-ylpyridazin-3-yl]amino]pyrazine-2-carbonitrile.

What is the SMILES notation for 5-[[5-[(2,6-dimethylpiperidin-4-yl)methylamino]-6-propan-2-ylpyridazin-3-yl]amino]pyrazine-2-carbonitrile?

The canonical SMILES for 5-[[5-[(2,6-dimethylpiperidin-4-yl)methylamino]-6-propan-2-ylpyridazin-3-yl]amino]pyrazine-2-carbonitrile is CC1CC(CNc2cc(Nc3cnc(C#N)cn3)nnc2C(C)C)CC(C)N1.

What is the InChIKey of 5-[[5-[(2,6-dimethylpiperidin-4-yl)methylamino]-6-propan-2-ylpyridazin-3-yl]amino]pyrazine-2-carbonitrile?

The InChIKey is QLDFYLGHRLBBNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N8/c1-12(2)20-17(23-9-15-5-13(3)25-14(4)6-15)7-18(27-28-20)26-19-11-22-16(8-21)10-24-19/h7,10-15,25H,5-6,9H2,1-4H3,(H2,23,24,26,27).

What are the key properties of 5-[[5-[(2,6-dimethylpiperidin-4-yl)methylamino]-6-propan-2-ylpyridazin-3-yl]amino]pyrazine-2-carbonitrile?

5-[[5-[(2,6-dimethylpiperidin-4-yl)methylamino]-6-propan-2-ylpyridazin-3-yl]amino]pyrazine-2-carbonitrile has a molecular weight of 380.50 g/mol, XLogP of 3.19, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[5-[(2,6-dimethylpiperidin-4-yl)methylamino]-6-propan-2-ylpyridazin-3-yl]amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 155594902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).