3-cyclohexyl-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide

C25H26N6O — CID 16873246

About 3-cyclohexyl-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide

3-cyclohexyl-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide (PubChem CID 16873246) has the molecular formula C25H26N6O and a molecular weight of 426.52 g/mol. Its IUPAC name is 3-cyclohexyl-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide.

Molecular Properties

• Compound Name: 3-cyclohexyl-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide
• PubChem CID: 16873246
• Molecular Formula: C25H26N6O
• Molecular Weight: 426.52 g/mol
• Exact Mass: 426.22
• IUPAC Name: 3-cyclohexyl-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide
• SMILES: O=C(CCC1CCCCC1)Nc1ccc(-c2ccc3nnc(-c4ccncc4)n3n2)cc1
• InChI: InChI=1S/C25H26N6O/c32-24(13-6-18-4-2-1-3-5-18)27-21-9-7-19(8-10-21)22-11-12-23-28-29-25(31(23)30-22)20-14-16-26-17-15-20/h7-12,14-18H,1-6,13H2,(H,27,32)
• InChIKey: BALLGKCBTICPHK-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 85.07 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	426.52
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide?

The IUPAC name of 3-cyclohexyl-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide (CID 16873246) is 3-cyclohexyl-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide.

What is the SMILES notation for 3-cyclohexyl-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide?

The canonical SMILES for 3-cyclohexyl-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide is O=C(CCC1CCCCC1)Nc1ccc(-c2ccc3nnc(-c4ccncc4)n3n2)cc1.

What is the InChIKey of 3-cyclohexyl-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide?

The InChIKey is BALLGKCBTICPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O/c32-24(13-6-18-4-2-1-3-5-18)27-21-9-7-19(8-10-21)22-11-12-23-28-29-25(31(23)30-22)20-14-16-26-17-15-20/h7-12,14-18H,1-6,13H2,(H,27,32).

What are the key properties of 3-cyclohexyl-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide?

3-cyclohexyl-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide has a molecular weight of 426.52 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclohexyl-N-[4-(3-pyridin-4-yl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl]propanamide is sourced from PubChem (CID 16873246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).