piperidin-1-yl-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone

C17H23N7O — CID 90600945

About piperidin-1-yl-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone

piperidin-1-yl-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone (PubChem CID 90600945) has the molecular formula C17H23N7O and a molecular weight of 341.42 g/mol. Its IUPAC name is piperidin-1-yl-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone.

Molecular Properties

• Compound Name: piperidin-1-yl-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone
• PubChem CID: 90600945
• Molecular Formula: C17H23N7O
• Molecular Weight: 341.42 g/mol
• Exact Mass: 341.20
• IUPAC Name: piperidin-1-yl-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone
• SMILES: O=C(C1CCCN(c2ccc(-n3cncn3)nn2)C1)N1CCCCC1
• InChI: InChI=1S/C17H23N7O/c25-17(22-8-2-1-3-9-22)14-5-4-10-23(11-14)15-6-7-16(21-20-15)24-13-18-12-19-24/h6-7,12-14H,1-5,8-11H2
• InChIKey: XGSNQTCBYCITSO-UHFFFAOYSA-N
• XLogP: 1.29
• TPSA: 80.04 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	341.42
LogP ≤ 5	1.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of piperidin-1-yl-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone?

The IUPAC name of piperidin-1-yl-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone (CID 90600945) is piperidin-1-yl-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone.

What is the SMILES notation for piperidin-1-yl-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone?

The canonical SMILES for piperidin-1-yl-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone is O=C(C1CCCN(c2ccc(-n3cncn3)nn2)C1)N1CCCCC1.

What is the InChIKey of piperidin-1-yl-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone?

The InChIKey is XGSNQTCBYCITSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N7O/c25-17(22-8-2-1-3-9-22)14-5-4-10-23(11-14)15-6-7-16(21-20-15)24-13-18-12-19-24/h6-7,12-14H,1-5,8-11H2.

What are the key properties of piperidin-1-yl-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone?

piperidin-1-yl-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone has a molecular weight of 341.42 g/mol, XLogP of 1.29, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for piperidin-1-yl-[1-[6-(1,2,4-triazol-1-yl)pyridazin-3-yl]piperidin-3-yl]methanone is sourced from PubChem (CID 90600945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).