3-(4-bromophenyl)-5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-4,5-dihydro-1H-pyridazin-6-one

C14H14BrN5O2 — CID 139226153

About 3-(4-bromophenyl)-5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-4,5-dihydro-1H-pyridazin-6-one

3-(4-bromophenyl)-5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 139226153) has the molecular formula C14H14BrN5O2 and a molecular weight of 364.20 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

• Compound Name: 3-(4-bromophenyl)-5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-4,5-dihydro-1H-pyridazin-6-one
• PubChem CID: 139226153
• Molecular Formula: C14H14BrN5O2
• Molecular Weight: 364.20 g/mol
• Exact Mass: 363.03
• IUPAC Name: 3-(4-bromophenyl)-5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-4,5-dihydro-1H-pyridazin-6-one
• SMILES: Cc1nnc(CNC2CC(c3ccc(Br)cc3)=NNC2=O)o1
• InChI: InChI=1S/C14H14BrN5O2/c1-8-17-19-13(22-8)7-16-12-6-11(18-20-14(12)21)9-2-4-10(15)5-3-9/h2-5,12,16H,6-7H2,1H3,(H,20,21)
• InChIKey: XJJLYDVUIIALBW-UHFFFAOYSA-N
• XLogP: 1.52
• TPSA: 92.41 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.20
LogP ≤ 5	1.52
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 3-(4-bromophenyl)-5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-4,5-dihydro-1H-pyridazin-6-one (CID 139226153) is 3-(4-bromophenyl)-5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-4,5-dihydro-1H-pyridazin-6-one.

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

The canonical SMILES for 3-(4-bromophenyl)-5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-4,5-dihydro-1H-pyridazin-6-one is Cc1nnc(CNC2CC(c3ccc(Br)cc3)=NNC2=O)o1.

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

The InChIKey is XJJLYDVUIIALBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN5O2/c1-8-17-19-13(22-8)7-16-12-6-11(18-20-14(12)21)9-2-4-10(15)5-3-9/h2-5,12,16H,6-7H2,1H3,(H,20,21).

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

3-(4-bromophenyl)-5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 364.20 g/mol, XLogP of 1.52, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-bromophenyl)-5-[(5-methyl-1,3,4-oxadiazol-2-yl)methylamino]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 139226153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).