3-methyl-6-[(3R)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine

C18H24N8 — CID 97208390

About 3-methyl-6-[(3R)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine

3-methyl-6-[(3R)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine (PubChem CID 97208390) has the molecular formula C18H24N8 and a molecular weight of 352.45 g/mol. Its IUPAC name is 3-methyl-6-[(3R)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine.

Molecular Properties

• Compound Name: 3-methyl-6-[(3R)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine
• PubChem CID: 97208390
• Molecular Formula: C18H24N8
• Molecular Weight: 352.45 g/mol
• Exact Mass: 352.21
• IUPAC Name: 3-methyl-6-[(3R)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine
• SMILES: Cc1ccc(N2CCC[C@@H](c3nnc(Cn4ccnc4C)n3C)C2)nn1
• InChI: InChI=1S/C18H24N8/c1-13-6-7-16(21-20-13)26-9-4-5-15(11-26)18-23-22-17(24(18)3)12-25-10-8-19-14(25)2/h6-8,10,15H,4-5,9,11-12H2,1-3H3/t15-/m1/s1
• InChIKey: QLELLPASBBNJCH-OAHLLOKOSA-N
• XLogP: 1.85
• TPSA: 77.55 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.45
LogP ≤ 5	1.85
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-[(3R)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine?

The IUPAC name of 3-methyl-6-[(3R)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine (CID 97208390) is 3-methyl-6-[(3R)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine.

What is the SMILES notation for 3-methyl-6-[(3R)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine?

The canonical SMILES for 3-methyl-6-[(3R)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine is Cc1ccc(N2CCC[C@@H](c3nnc(Cn4ccnc4C)n3C)C2)nn1.

What is the InChIKey of 3-methyl-6-[(3R)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine?

The InChIKey is QLELLPASBBNJCH-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N8/c1-13-6-7-16(21-20-13)26-9-4-5-15(11-26)18-23-22-17(24(18)3)12-25-10-8-19-14(25)2/h6-8,10,15H,4-5,9,11-12H2,1-3H3/t15-/m1/s1.

What are the key properties of 3-methyl-6-[(3R)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine?

3-methyl-6-[(3R)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine has a molecular weight of 352.45 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-methyl-6-[(3R)-3-[4-methyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine is sourced from PubChem (CID 97208390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).