N-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-[3-(4-methylcyclohexen-1-yl)-6-oxopyridazin-1-yl]acetamide

C19H19FN6O2 — CID 166648333

About N-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-[3-(4-methylcyclohexen-1-yl)-6-oxopyridazin-1-yl]acetamide

N-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-[3-(4-methylcyclohexen-1-yl)-6-oxopyridazin-1-yl]acetamide (PubChem CID 166648333) has the molecular formula C19H19FN6O2 and a molecular weight of 382.40 g/mol. Its IUPAC name is N-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-[3-(4-methylcyclohexen-1-yl)-6-oxopyridazin-1-yl]acetamide.

Molecular Properties

• Compound Name: N-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-[3-(4-methylcyclohexen-1-yl)-6-oxopyridazin-1-yl]acetamide
• PubChem CID: 166648333
• Molecular Formula: C19H19FN6O2
• Molecular Weight: 382.40 g/mol
• Exact Mass: 382.16
• IUPAC Name: N-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-[3-(4-methylcyclohexen-1-yl)-6-oxopyridazin-1-yl]acetamide
• SMILES: CC1CC=C(c2ccc(=O)n(CC(=O)Nc3ccn4ncnc4c3F)n2)CC1
• InChI: InChI=1S/C19H19FN6O2/c1-12-2-4-13(5-3-12)14-6-7-17(28)26(24-14)10-16(27)23-15-8-9-25-19(18(15)20)21-11-22-25/h4,6-9,11-12H,2-3,5,10H2,1H3,(H,23,27)
• InChIKey: QIGMHCLFGTZTEV-UHFFFAOYSA-N
• XLogP: 2.27
• TPSA: 94.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.40
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-[3-(4-methylcyclohexen-1-yl)-6-oxopyridazin-1-yl]acetamide?

The IUPAC name of N-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-[3-(4-methylcyclohexen-1-yl)-6-oxopyridazin-1-yl]acetamide (CID 166648333) is N-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-[3-(4-methylcyclohexen-1-yl)-6-oxopyridazin-1-yl]acetamide.

What is the SMILES notation for N-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-[3-(4-methylcyclohexen-1-yl)-6-oxopyridazin-1-yl]acetamide?

The canonical SMILES for N-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-[3-(4-methylcyclohexen-1-yl)-6-oxopyridazin-1-yl]acetamide is CC1CC=C(c2ccc(=O)n(CC(=O)Nc3ccn4ncnc4c3F)n2)CC1.

What is the InChIKey of N-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-[3-(4-methylcyclohexen-1-yl)-6-oxopyridazin-1-yl]acetamide?

The InChIKey is QIGMHCLFGTZTEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6O2/c1-12-2-4-13(5-3-12)14-6-7-17(28)26(24-14)10-16(27)23-15-8-9-25-19(18(15)20)21-11-22-25/h4,6-9,11-12H,2-3,5,10H2,1H3,(H,23,27).

What are the key properties of N-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-[3-(4-methylcyclohexen-1-yl)-6-oxopyridazin-1-yl]acetamide?

N-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-[3-(4-methylcyclohexen-1-yl)-6-oxopyridazin-1-yl]acetamide has a molecular weight of 382.40 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-[3-(4-methylcyclohexen-1-yl)-6-oxopyridazin-1-yl]acetamide is sourced from PubChem (CID 166648333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).