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

C18H24N8 — CID 72891700

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

3-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine (PubChem CID 72891700) has the molecular formula C18H24N8 and a molecular weight of 352.45 g/mol. Its IUPAC name is 3-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine.

Molecular Properties

• Compound Name: 3-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine
• PubChem CID: 72891700
• Molecular Formula: C18H24N8
• Molecular Weight: 352.45 g/mol
• Exact Mass: 352.21
• IUPAC Name: 3-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine
• SMILES: CCn1c(Cn2ccnc2C)nnc1C1CCN(c2cccnn2)CC1
• InChI: InChI=1S/C18H24N8/c1-3-26-17(13-25-12-9-19-14(25)2)22-23-18(26)15-6-10-24(11-7-15)16-5-4-8-20-21-16/h4-5,8-9,12,15H,3,6-7,10-11,13H2,1-2H3
• InChIKey: OQSISUMNYXSNIZ-UHFFFAOYSA-N
• XLogP: 2.03
• TPSA: 77.55 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	352.45
LogP ≤ 5	2.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine (CID 72891700) is 3-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine.

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

The canonical SMILES for 3-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine is CCn1c(Cn2ccnc2C)nnc1C1CCN(c2cccnn2)CC1.

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

The InChIKey is OQSISUMNYXSNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N8/c1-3-26-17(13-25-12-9-19-14(25)2)22-23-18(26)15-6-10-24(11-7-15)16-5-4-8-20-21-16/h4-5,8-9,12,15H,3,6-7,10-11,13H2,1-2H3.

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

3-[4-[4-ethyl-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 2.03, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[4-ethyl-5-[(2-methylimidazol-1-yl)methyl]-1,2,4-triazol-3-yl]piperidin-1-yl]pyridazine is sourced from PubChem (CID 72891700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).