6-tert-butyl-2-[2-[4-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one

C23H34N6O — CID 126914330

About 6-tert-butyl-2-[2-[4-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one

6-tert-butyl-2-[2-[4-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one (PubChem CID 126914330) has the molecular formula C23H34N6O and a molecular weight of 410.57 g/mol. Its IUPAC name is 6-tert-butyl-2-[2-[4-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one.

Molecular Properties

• Compound Name: 6-tert-butyl-2-[2-[4-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one
• PubChem CID: 126914330
• Molecular Formula: C23H34N6O
• Molecular Weight: 410.57 g/mol
• Exact Mass: 410.28
• IUPAC Name: 6-tert-butyl-2-[2-[4-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one
• SMILES: CC1CCc2nnc(N3CCN(CCn4nc(C(C)(C)C)ccc4=O)CC3)cc2C1
• InChI: InChI=1S/C23H34N6O/c1-17-5-6-19-18(15-17)16-21(25-24-19)28-12-9-27(10-13-28)11-14-29-22(30)8-7-20(26-29)23(2,3)4/h7-8,16-17H,5-6,9-15H2,1-4H3
• InChIKey: MFJUUZMMXHAOTJ-UHFFFAOYSA-N
• XLogP: 2.28
• TPSA: 67.15 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.57
LogP ≤ 5	2.28
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-[2-[4-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one?

The IUPAC name of 6-tert-butyl-2-[2-[4-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one (CID 126914330) is 6-tert-butyl-2-[2-[4-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one.

What is the SMILES notation for 6-tert-butyl-2-[2-[4-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one?

The canonical SMILES for 6-tert-butyl-2-[2-[4-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one is CC1CCc2nnc(N3CCN(CCn4nc(C(C)(C)C)ccc4=O)CC3)cc2C1.

What is the InChIKey of 6-tert-butyl-2-[2-[4-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one?

The InChIKey is MFJUUZMMXHAOTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N6O/c1-17-5-6-19-18(15-17)16-21(25-24-19)28-12-9-27(10-13-28)11-14-29-22(30)8-7-20(26-29)23(2,3)4/h7-8,16-17H,5-6,9-15H2,1-4H3.

What are the key properties of 6-tert-butyl-2-[2-[4-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one?

6-tert-butyl-2-[2-[4-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one has a molecular weight of 410.57 g/mol, XLogP of 2.28, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-tert-butyl-2-[2-[4-(6-methyl-5,6,7,8-tetrahydrocinnolin-3-yl)piperazin-1-yl]ethyl]pyridazin-3-one is sourced from PubChem (CID 126914330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).