N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-3-fluoro-N-methylpyridine-4-carboxamide

C19H20FN7O — CID 134161459

About N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-3-fluoro-N-methylpyridine-4-carboxamide

N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-3-fluoro-N-methylpyridine-4-carboxamide (PubChem CID 134161459) has the molecular formula C19H20FN7O and a molecular weight of 381.42 g/mol. Its IUPAC name is N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-3-fluoro-N-methylpyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-3-fluoro-N-methylpyridine-4-carboxamide
• PubChem CID: 134161459
• Molecular Formula: C19H20FN7O
• Molecular Weight: 381.42 g/mol
• Exact Mass: 381.17
• IUPAC Name: N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-3-fluoro-N-methylpyridine-4-carboxamide
• SMILES: CN(C(=O)c1ccncc1F)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1
• InChI: InChI=1S/C19H20FN7O/c1-25(19(28)14-7-8-21-9-15(14)20)13-10-26(11-13)17-6-5-16-22-23-18(27(16)24-17)12-3-2-4-12/h5-9,12-13H,2-4,10-11H2,1H3
• InChIKey: OKZBUDSZBJOEGH-UHFFFAOYSA-N
• XLogP: 1.89
• TPSA: 79.52 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.42
LogP ≤ 5	1.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-3-fluoro-N-methylpyridine-4-carboxamide?

The IUPAC name of N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-3-fluoro-N-methylpyridine-4-carboxamide (CID 134161459) is N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-3-fluoro-N-methylpyridine-4-carboxamide.

What is the SMILES notation for N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-3-fluoro-N-methylpyridine-4-carboxamide?

The canonical SMILES for N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-3-fluoro-N-methylpyridine-4-carboxamide is CN(C(=O)c1ccncc1F)C1CN(c2ccc3nnc(C4CCC4)n3n2)C1.

What is the InChIKey of N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-3-fluoro-N-methylpyridine-4-carboxamide?

The InChIKey is OKZBUDSZBJOEGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN7O/c1-25(19(28)14-7-8-21-9-15(14)20)13-10-26(11-13)17-6-5-16-22-23-18(27(16)24-17)12-3-2-4-12/h5-9,12-13H,2-4,10-11H2,1H3.

What are the key properties of N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-3-fluoro-N-methylpyridine-4-carboxamide?

N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-3-fluoro-N-methylpyridine-4-carboxamide has a molecular weight of 381.42 g/mol, XLogP of 1.89, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(3-cyclobutyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-3-fluoro-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 134161459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).