3-[(1R)-1-[(4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-yl)amino]ethyl]benzonitrile

C₂₁H₂₂N₆O — CID 156526900

About 3-[(1R)-1-[(4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-yl)amino]ethyl]benzonitrile

3-[(1R)-1-[(4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-yl)amino]ethyl]benzonitrile (PubChem CID 156526900) has the molecular formula C₂₁H₂₂N₆O and a molecular weight of 374.45 g/mol. Its IUPAC name is 3-[(1R)-1-[(4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-yl)amino]ethyl]benzonitrile.

Molecular Properties

• Compound Name: 3-[(1R)-1-[(4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-yl)amino]ethyl]benzonitrile
• PubChem CID: 156526900
• Molecular Formula: C₂₁H₂₂N₆O
• Molecular Weight: 374.45 g/mol
• Exact Mass: 374.19
• IUPAC Name: 3-[(1R)-1-[(4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-yl)amino]ethyl]benzonitrile
• SMILES: Cc1nnc(N[C@H](C)c2cccc(C#N)c2)c2cc(N3CCOCC3)ncc12
• InChI: InChI=1S/C21H22N6O/c1-14(17-5-3-4-16(10-17)12-22)24-21-18-11-20(27-6-8-28-9-7-27)23-13-19(18)15(2)25-26-21/h3-5,10-11,13-14H,6-9H2,1-2H3,(H,24,26)/t14-/m1/s1
• InChIKey: OESPAJDWDOVVTN-CQSZACIVSA-N
• XLogP: 3.21
• TPSA: 86.96 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.45
LogP ≤ 5	3.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-[(4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-yl)amino]ethyl]benzonitrile?

The IUPAC name of 3-[(1R)-1-[(4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-yl)amino]ethyl]benzonitrile (CID 156526900) is 3-[(1R)-1-[(4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-yl)amino]ethyl]benzonitrile.

What is the SMILES notation for 3-[(1R)-1-[(4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-yl)amino]ethyl]benzonitrile?

The canonical SMILES for 3-[(1R)-1-[(4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-yl)amino]ethyl]benzonitrile is Cc1nnc(N[C@H](C)c2cccc(C#N)c2)c2cc(N3CCOCC3)ncc12.

What is the InChIKey of 3-[(1R)-1-[(4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-yl)amino]ethyl]benzonitrile?

The InChIKey is OESPAJDWDOVVTN-CQSZACIVSA-N. The full InChI is InChI=1S/C21H22N6O/c1-14(17-5-3-4-16(10-17)12-22)24-21-18-11-20(27-6-8-28-9-7-27)23-13-19(18)15(2)25-26-21/h3-5,10-11,13-14H,6-9H2,1-2H3,(H,24,26)/t14-/m1/s1.

What are the key properties of 3-[(1R)-1-[(4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-yl)amino]ethyl]benzonitrile?

3-[(1R)-1-[(4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-yl)amino]ethyl]benzonitrile has a molecular weight of 374.45 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(1R)-1-[(4-methyl-7-morpholin-4-ylpyrido[3,4-d]pyridazin-1-yl)amino]ethyl]benzonitrile is sourced from PubChem (CID 156526900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 156526900 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.