9-(cyclobutylmethyl)-8-fluoro-1-methyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one

C16H18FN3O2 — CID 158634215

About 9-(cyclobutylmethyl)-8-fluoro-1-methyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one

9-(cyclobutylmethyl)-8-fluoro-1-methyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one (PubChem CID 158634215) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is 9-(cyclobutylmethyl)-8-fluoro-1-methyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one.

Molecular Properties

• Compound Name: 9-(cyclobutylmethyl)-8-fluoro-1-methyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one
• PubChem CID: 158634215
• Molecular Formula: C16H18FN3O2
• Molecular Weight: 303.34 g/mol
• Exact Mass: 303.14
• IUPAC Name: 9-(cyclobutylmethyl)-8-fluoro-1-methyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one
• SMILES: CC1C(=O)NN=C2COc3cc(F)c(CC4CCC4)cc3N21
• InChI: InChI=1S/C16H18FN3O2/c1-9-16(21)19-18-15-8-22-14-7-12(17)11(5-10-3-2-4-10)6-13(14)20(9)15/h6-7,9-10H,2-5,8H2,1H3,(H,19,21)
• InChIKey: SADYBCPPYWTAFT-UHFFFAOYSA-N
• XLogP: 2.20
• TPSA: 53.93 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	303.34
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 9-(cyclobutylmethyl)-8-fluoro-1-methyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one?

The IUPAC name of 9-(cyclobutylmethyl)-8-fluoro-1-methyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one (CID 158634215) is 9-(cyclobutylmethyl)-8-fluoro-1-methyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one.

What is the SMILES notation for 9-(cyclobutylmethyl)-8-fluoro-1-methyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one?

The canonical SMILES for 9-(cyclobutylmethyl)-8-fluoro-1-methyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one is CC1C(=O)NN=C2COc3cc(F)c(CC4CCC4)cc3N21.

What is the InChIKey of 9-(cyclobutylmethyl)-8-fluoro-1-methyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one?

The InChIKey is SADYBCPPYWTAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-9-16(21)19-18-15-8-22-14-7-12(17)11(5-10-3-2-4-10)6-13(14)20(9)15/h6-7,9-10H,2-5,8H2,1H3,(H,19,21).

What are the key properties of 9-(cyclobutylmethyl)-8-fluoro-1-methyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one?

9-(cyclobutylmethyl)-8-fluoro-1-methyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one has a molecular weight of 303.34 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(cyclobutylmethyl)-8-fluoro-1-methyl-3,5-dihydro-1H-[1,2,4]triazino[3,4-c][1,4]benzoxazin-2-one is sourced from PubChem (CID 158634215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).