[4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanamine

C22H17FN6 — CID 59320374

About [4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanamine

[4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanamine (PubChem CID 59320374) has the molecular formula C22H17FN6 and a molecular weight of 384.42 g/mol. Its IUPAC name is [4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanamine.

Molecular Properties

• Compound Name: [4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanamine
• PubChem CID: 59320374
• Molecular Formula: C22H17FN6
• Molecular Weight: 384.42 g/mol
• Exact Mass: 384.15
• IUPAC Name: [4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanamine
• SMILES: NCc1ccc(-c2ccc3nnc(C(F)c4ccc5ncccc5c4)n3n2)cc1
• InChI: InChI=1S/C22H17FN6/c23-21(17-7-8-18-16(12-17)2-1-11-25-18)22-27-26-20-10-9-19(28-29(20)22)15-5-3-14(13-24)4-6-15/h1-12,21H,13,24H2
• InChIKey: XVUFMQBKSZSZQF-UHFFFAOYSA-N
• XLogP: 3.86
• TPSA: 81.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	384.42
LogP ≤ 5	3.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanamine?

The IUPAC name of [4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanamine (CID 59320374) is [4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanamine.

What is the SMILES notation for [4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanamine?

The canonical SMILES for [4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanamine is NCc1ccc(-c2ccc3nnc(C(F)c4ccc5ncccc5c4)n3n2)cc1.

What is the InChIKey of [4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanamine?

The InChIKey is XVUFMQBKSZSZQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17FN6/c23-21(17-7-8-18-16(12-17)2-1-11-25-18)22-27-26-20-10-9-19(28-29(20)22)15-5-3-14(13-24)4-6-15/h1-12,21H,13,24H2.

What are the key properties of [4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanamine?

[4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanamine has a molecular weight of 384.42 g/mol, XLogP of 3.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[3-[fluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]phenyl]methanamine is sourced from PubChem (CID 59320374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).