N-[(2R)-1-(furan-2-yl)propan-2-yl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide

C18H22N6O2 — CID 92869993

About N-[(2R)-1-(furan-2-yl)propan-2-yl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide

N-[(2R)-1-(furan-2-yl)propan-2-yl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide (PubChem CID 92869993) has the molecular formula C18H22N6O2 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-[(2R)-1-(furan-2-yl)propan-2-yl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(2R)-1-(furan-2-yl)propan-2-yl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
• PubChem CID: 92869993
• Molecular Formula: C18H22N6O2
• Molecular Weight: 354.41 g/mol
• Exact Mass: 354.18
• IUPAC Name: N-[(2R)-1-(furan-2-yl)propan-2-yl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
• SMILES: C[C@H](Cc1ccco1)NC(=O)C1CCN(c2ccc3nncn3n2)CC1
• InChI: InChI=1S/C18H22N6O2/c1-13(11-15-3-2-10-26-15)20-18(25)14-6-8-23(9-7-14)17-5-4-16-21-19-12-24(16)22-17/h2-5,10,12-14H,6-9,11H2,1H3,(H,20,25)/t13-/m1/s1
• InChIKey: SQOIZLRBRDNNQG-CYBMUJFWSA-N
• XLogP: 1.68
• TPSA: 88.56 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.41
LogP ≤ 5	1.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[(2R)-1-(furan-2-yl)propan-2-yl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide (CID 92869993) is N-[(2R)-1-(furan-2-yl)propan-2-yl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide.

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

The canonical SMILES for N-[(2R)-1-(furan-2-yl)propan-2-yl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide is C[C@H](Cc1ccco1)NC(=O)C1CCN(c2ccc3nncn3n2)CC1.

What is the InChIKey of N-[(2R)-1-(furan-2-yl)propan-2-yl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide?

The InChIKey is SQOIZLRBRDNNQG-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H22N6O2/c1-13(11-15-3-2-10-26-15)20-18(25)14-6-8-23(9-7-14)17-5-4-16-21-19-12-24(16)22-17/h2-5,10,12-14H,6-9,11H2,1H3,(H,20,25)/t13-/m1/s1.

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

N-[(2R)-1-(furan-2-yl)propan-2-yl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide has a molecular weight of 354.41 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R)-1-(furan-2-yl)propan-2-yl]-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide is sourced from PubChem (CID 92869993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).