1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine

C17H19N7O — CID 95610877

About 1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine

1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine (PubChem CID 95610877) has the molecular formula C17H19N7O and a molecular weight of 337.39 g/mol. Its IUPAC name is 1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine.

Molecular Properties

• Compound Name: 1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
• PubChem CID: 95610877
• Molecular Formula: C17H19N7O
• Molecular Weight: 337.39 g/mol
• Exact Mass: 337.17
• IUPAC Name: 1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
• SMILES: c1cncc(-c2noc(CNC[C@@H]3CCCN3c3cccnn3)n2)c1
• InChI: InChI=1S/C17H19N7O/c1-4-13(10-18-7-1)17-21-16(25-23-17)12-19-11-14-5-3-9-24(14)15-6-2-8-20-22-15/h1-2,4,6-8,10,14,19H,3,5,9,11-12H2/t14-/m0/s1
• InChIKey: OBUGDQKUUPADAY-AWEZNQCLSA-N
• XLogP: 1.68
• TPSA: 92.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	337.39
LogP ≤ 5	1.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?

The IUPAC name of 1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine (CID 95610877) is 1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine.

What is the SMILES notation for 1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?

The canonical SMILES for 1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine is c1cncc(-c2noc(CNC[C@@H]3CCCN3c3cccnn3)n2)c1.

What is the InChIKey of 1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?

The InChIKey is OBUGDQKUUPADAY-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H19N7O/c1-4-13(10-18-7-1)17-21-16(25-23-17)12-19-11-14-5-3-9-24(14)15-6-2-8-20-22-15/h1-2,4,6-8,10,14,19H,3,5,9,11-12H2/t14-/m0/s1.

What are the key properties of 1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine?

1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine has a molecular weight of 337.39 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2S)-1-pyridazin-3-ylpyrrolidin-2-yl]-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine is sourced from PubChem (CID 95610877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).