8-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine

C19H20FN7 — CID 176501441

About 8-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine

8-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine (PubChem CID 176501441) has the molecular formula C19H20FN7 and a molecular weight of 365.42 g/mol. Its IUPAC name is 8-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine.

Molecular Properties

• Compound Name: 8-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
• PubChem CID: 176501441
• Molecular Formula: C19H20FN7
• Molecular Weight: 365.42 g/mol
• Exact Mass: 365.18
• IUPAC Name: 8-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine
• SMILES: Cc1nn2cnnc2c(N2CCC(c3nc4ccc(F)cc4[nH]3)CC2)c1C
• InChI: InChI=1S/C19H20FN7/c1-11-12(2)25-27-10-21-24-19(27)17(11)26-7-5-13(6-8-26)18-22-15-4-3-14(20)9-16(15)23-18/h3-4,9-10,13H,5-8H2,1-2H3,(H,22,23)
• InChIKey: PPMWKJSIBRHKDC-UHFFFAOYSA-N
• XLogP: 3.14
• TPSA: 75.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	365.42
LogP ≤ 5	3.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 8-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?

The IUPAC name of 8-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine (CID 176501441) is 8-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine.

What is the SMILES notation for 8-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?

The canonical SMILES for 8-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine is Cc1nn2cnnc2c(N2CCC(c3nc4ccc(F)cc4[nH]3)CC2)c1C.

What is the InChIKey of 8-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?

The InChIKey is PPMWKJSIBRHKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN7/c1-11-12(2)25-27-10-21-24-19(27)17(11)26-7-5-13(6-8-26)18-22-15-4-3-14(20)9-16(15)23-18/h3-4,9-10,13H,5-8H2,1-2H3,(H,22,23).

What are the key properties of 8-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine?

8-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine has a molecular weight of 365.42 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 8-[4-(6-fluoro-1H-benzimidazol-2-yl)piperidin-1-yl]-6,7-dimethyl-[1,2,4]triazolo[4,3-b]pyridazine is sourced from PubChem (CID 176501441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).