3-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carbonyl]-1H-pyridazin-6-one

C17H17N7O3 — CID 90491225

About 3-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carbonyl]-1H-pyridazin-6-one

3-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carbonyl]-1H-pyridazin-6-one (PubChem CID 90491225) has the molecular formula C17H17N7O3 and a molecular weight of 367.37 g/mol. Its IUPAC name is 3-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carbonyl]-1H-pyridazin-6-one.

Molecular Properties

• Compound Name: 3-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carbonyl]-1H-pyridazin-6-one
• PubChem CID: 90491225
• Molecular Formula: C17H17N7O3
• Molecular Weight: 367.37 g/mol
• Exact Mass: 367.14
• IUPAC Name: 3-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carbonyl]-1H-pyridazin-6-one
• SMILES: Cc1nc(-c2ccc(N3CCN(C(=O)c4ccc(=O)[nH]n4)CC3)nc2)no1
• InChI: InChI=1S/C17H17N7O3/c1-11-19-16(22-27-11)12-2-4-14(18-10-12)23-6-8-24(9-7-23)17(26)13-3-5-15(25)21-20-13/h2-5,10H,6-9H2,1H3,(H,21,25)
• InChIKey: BZHFSKODNCOLDN-UHFFFAOYSA-N
• XLogP: 0.49
• TPSA: 121.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	367.37
LogP ≤ 5	0.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carbonyl]-1H-pyridazin-6-one?

The IUPAC name of 3-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carbonyl]-1H-pyridazin-6-one (CID 90491225) is 3-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carbonyl]-1H-pyridazin-6-one.

What is the SMILES notation for 3-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carbonyl]-1H-pyridazin-6-one?

The canonical SMILES for 3-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carbonyl]-1H-pyridazin-6-one is Cc1nc(-c2ccc(N3CCN(C(=O)c4ccc(=O)[nH]n4)CC3)nc2)no1.

What is the InChIKey of 3-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carbonyl]-1H-pyridazin-6-one?

The InChIKey is BZHFSKODNCOLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O3/c1-11-19-16(22-27-11)12-2-4-14(18-10-12)23-6-8-24(9-7-23)17(26)13-3-5-15(25)21-20-13/h2-5,10H,6-9H2,1H3,(H,21,25).

What are the key properties of 3-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carbonyl]-1H-pyridazin-6-one?

3-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carbonyl]-1H-pyridazin-6-one has a molecular weight of 367.37 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2-pyridinyl]piperazine-1-carbonyl]-1H-pyridazin-6-one is sourced from PubChem (CID 90491225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).