[3-(3-fluoro-1-bicyclo[2.2.0]hexanyl)-4,6-dioxo-1,2-dihydropyrido[2,1-f][1,2,4]triazin-5-yl]oxymethyl methyl carbonate

C16H18FN3O6 — CID 155419960

IUPAC[3-(3-fluoro-1-bicyclo[2.2.0]hexanyl)-4,6-dioxo-1,2-dihydropyrido[2,1-f][1,2,4]triazin-5-yl]oxymethyl methyl carbonate
SMILESCOC(=O)OCOc1c2n(ccc1=O)NCN(C13CCC1C(F)C3)C2=O
InChIInChI=1S/C16H18FN3O6/c1-24-15(23)26-8-25-13-11(21)3-5-20-12(13)14(22)19(7-18-20)16-4-2-9(16)10(17)6-16/h3,5,9-10,18H,2,4,6-8H2,1H3
InChIKeyODHRNGJPXHJDRL-UHFFFAOYSA-N
MW367.33 g/mol
LogP0.81
Rot. Bonds4

About [3-(3-fluoro-1-bicyclo[2.2.0]hexanyl)-4,6-dioxo-1,2-dihydropyrido[2,1-f][1,2,4]triazin-5-yl]oxymethyl methyl carbonate

[3-(3-fluoro-1-bicyclo[2.2.0]hexanyl)-4,6-dioxo-1,2-dihydropyrido[2,1-f][1,2,4]triazin-5-yl]oxymethyl methyl carbonate (PubChem CID 155419960) has the molecular formula C16H18FN3O6 and a molecular weight of 367.33 g/mol. Its IUPAC name is [3-(3-fluoro-1-bicyclo[2.2.0]hexanyl)-4,6-dioxo-1,2-dihydropyrido[2,1-f][1,2,4]triazin-5-yl]oxymethyl methyl carbonate.

Molecular Properties

Compound Name[3-(3-fluoro-1-bicyclo[2.2.0]hexanyl)-4,6-dioxo-1,2-dihydropyrido[2,1-f][1,2,4]triazin-5-yl]oxymethyl methyl carbonate
PubChem CID155419960
Molecular FormulaC16H18FN3O6
Molecular Weight367.33 g/mol
Exact Mass367.12
IUPAC Name[3-(3-fluoro-1-bicyclo[2.2.0]hexanyl)-4,6-dioxo-1,2-dihydropyrido[2,1-f][1,2,4]triazin-5-yl]oxymethyl methyl carbonate
SMILESCOC(=O)OCOc1c2n(ccc1=O)NCN(C13CCC1C(F)C3)C2=O
InChIInChI=1S/C16H18FN3O6/c1-24-15(23)26-8-25-13-11(21)3-5-20-12(13)14(22)19(7-18-20)16-4-2-9(16)10(17)6-16/h3,5,9-10,18H,2,4,6-8H2,1H3
InChIKeyODHRNGJPXHJDRL-UHFFFAOYSA-N
XLogP0.81
TPSA99.10 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [3-(3-fluoro-1-bicyclo[2.2.0]hexanyl)-4,6-dioxo-1,2-dihydropyrido[2,1-f][1,2,4]triazin-5-yl]oxymethyl methyl carbonate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [3-(3-fluoro-1-bicyclo[2.2.0]hexanyl)-4,6-dioxo-1,2-dihydropyrido[2,1-f][1,2,4]triazin-5-yl]oxymethyl methyl carbonate?
The IUPAC name of [3-(3-fluoro-1-bicyclo[2.2.0]hexanyl)-4,6-dioxo-1,2-dihydropyrido[2,1-f][1,2,4]triazin-5-yl]oxymethyl methyl carbonate (CID 155419960) is [3-(3-fluoro-1-bicyclo[2.2.0]hexanyl)-4,6-dioxo-1,2-dihydropyrido[2,1-f][1,2,4]triazin-5-yl]oxymethyl methyl carbonate.
What is the SMILES notation for [3-(3-fluoro-1-bicyclo[2.2.0]hexanyl)-4,6-dioxo-1,2-dihydropyrido[2,1-f][1,2,4]triazin-5-yl]oxymethyl methyl carbonate?
The canonical SMILES for [3-(3-fluoro-1-bicyclo[2.2.0]hexanyl)-4,6-dioxo-1,2-dihydropyrido[2,1-f][1,2,4]triazin-5-yl]oxymethyl methyl carbonate is COC(=O)OCOc1c2n(ccc1=O)NCN(C13CCC1C(F)C3)C2=O.
What is the InChIKey of [3-(3-fluoro-1-bicyclo[2.2.0]hexanyl)-4,6-dioxo-1,2-dihydropyrido[2,1-f][1,2,4]triazin-5-yl]oxymethyl methyl carbonate?
The InChIKey is ODHRNGJPXHJDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O6/c1-24-15(23)26-8-25-13-11(21)3-5-20-12(13)14(22)19(7-18-20)16-4-2-9(16)10(17)6-16/h3,5,9-10,18H,2,4,6-8H2,1H3.
What are the key properties of [3-(3-fluoro-1-bicyclo[2.2.0]hexanyl)-4,6-dioxo-1,2-dihydropyrido[2,1-f][1,2,4]triazin-5-yl]oxymethyl methyl carbonate?
[3-(3-fluoro-1-bicyclo[2.2.0]hexanyl)-4,6-dioxo-1,2-dihydropyrido[2,1-f][1,2,4]triazin-5-yl]oxymethyl methyl carbonate has a molecular weight of 367.33 g/mol, XLogP of 0.81, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-fluoro-1-bicyclo[2.2.0]hexanyl)-4,6-dioxo-1,2-dihydropyrido[2,1-f][1,2,4]triazin-5-yl]oxymethyl methyl carbonate is sourced from PubChem (CID 155419960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).