1-[6-(furan-2-yl)pyridazin-3-yl]-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide

C20H19N9O2 — CID 71805451

About 1-[6-(furan-2-yl)pyridazin-3-yl]-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide

1-[6-(furan-2-yl)pyridazin-3-yl]-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide (PubChem CID 71805451) has the molecular formula C20H19N9O2 and a molecular weight of 417.43 g/mol. Its IUPAC name is 1-[6-(furan-2-yl)pyridazin-3-yl]-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

• Compound Name: 1-[6-(furan-2-yl)pyridazin-3-yl]-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
• PubChem CID: 71805451
• Molecular Formula: C20H19N9O2
• Molecular Weight: 417.43 g/mol
• Exact Mass: 417.17
• IUPAC Name: 1-[6-(furan-2-yl)pyridazin-3-yl]-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide
• SMILES: O=C(Nc1cc(-n2cncn2)ncn1)C1CCCN(c2ccc(-c3ccco3)nn2)C1
• InChI: InChI=1S/C20H19N9O2/c30-20(25-17-9-19(23-12-22-17)29-13-21-11-24-29)14-3-1-7-28(10-14)18-6-5-15(26-27-18)16-4-2-8-31-16/h2,4-6,8-9,11-14H,1,3,7,10H2,(H,22,23,25,30)
• InChIKey: RFSBPSJURRVLCU-UHFFFAOYSA-N
• XLogP: 1.96
• TPSA: 127.75 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	417.43
LogP ≤ 5	1.96
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 1-[6-(furan-2-yl)pyridazin-3-yl]-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide?

The IUPAC name of 1-[6-(furan-2-yl)pyridazin-3-yl]-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide (CID 71805451) is 1-[6-(furan-2-yl)pyridazin-3-yl]-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide.

What is the SMILES notation for 1-[6-(furan-2-yl)pyridazin-3-yl]-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide?

The canonical SMILES for 1-[6-(furan-2-yl)pyridazin-3-yl]-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide is O=C(Nc1cc(-n2cncn2)ncn1)C1CCCN(c2ccc(-c3ccco3)nn2)C1.

What is the InChIKey of 1-[6-(furan-2-yl)pyridazin-3-yl]-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide?

The InChIKey is RFSBPSJURRVLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N9O2/c30-20(25-17-9-19(23-12-22-17)29-13-21-11-24-29)14-3-1-7-28(10-14)18-6-5-15(26-27-18)16-4-2-8-31-16/h2,4-6,8-9,11-14H,1,3,7,10H2,(H,22,23,25,30).

What are the key properties of 1-[6-(furan-2-yl)pyridazin-3-yl]-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide?

1-[6-(furan-2-yl)pyridazin-3-yl]-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide has a molecular weight of 417.43 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[6-(furan-2-yl)pyridazin-3-yl]-N-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 71805451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).