1-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-5-hydroxy-2,3-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione

C22H17F2N3O3 — CID 134484255

IUPAC1-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-5-hydroxy-2,3-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESO=C1NCN(C2c3ccccc3CCc3cc(F)c(F)cc32)n2ccc(=O)c(O)c21
InChIInChI=1S/C22H17F2N3O3/c23-16-9-13-6-5-12-3-1-2-4-14(12)19(15(13)10-17(16)24)27-11-25-22(30)20-21(29)18(28)7-8-26(20)27/h1-4,7-10,19,29H,5-6,11H2,(H,25,30)
InChIKeyVGYNVPQRGBNDCE-UHFFFAOYSA-N
MW409.39 g/mol
LogP2.36
Rot. Bonds1

About 1-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-5-hydroxy-2,3-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione

1-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-5-hydroxy-2,3-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione (PubChem CID 134484255) has the molecular formula C22H17F2N3O3 and a molecular weight of 409.39 g/mol. Its IUPAC name is 1-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-5-hydroxy-2,3-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione.

Molecular Properties

Compound Name1-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-5-hydroxy-2,3-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione
PubChem CID134484255
Molecular FormulaC22H17F2N3O3
Molecular Weight409.39 g/mol
Exact Mass409.12
IUPAC Name1-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-5-hydroxy-2,3-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESO=C1NCN(C2c3ccccc3CCc3cc(F)c(F)cc32)n2ccc(=O)c(O)c21
InChIInChI=1S/C22H17F2N3O3/c23-16-9-13-6-5-12-3-1-2-4-14(12)19(15(13)10-17(16)24)27-11-25-22(30)20-21(29)18(28)7-8-26(20)27/h1-4,7-10,19,29H,5-6,11H2,(H,25,30)
InChIKeyVGYNVPQRGBNDCE-UHFFFAOYSA-N
XLogP2.36
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.39
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-5-hydroxy-2,3-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-5-hydroxy-2,3-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione?
The IUPAC name of 1-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-5-hydroxy-2,3-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione (CID 134484255) is 1-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-5-hydroxy-2,3-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione.
What is the SMILES notation for 1-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-5-hydroxy-2,3-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione?
The canonical SMILES for 1-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-5-hydroxy-2,3-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione is O=C1NCN(C2c3ccccc3CCc3cc(F)c(F)cc32)n2ccc(=O)c(O)c21.
What is the InChIKey of 1-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-5-hydroxy-2,3-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione?
The InChIKey is VGYNVPQRGBNDCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F2N3O3/c23-16-9-13-6-5-12-3-1-2-4-14(12)19(15(13)10-17(16)24)27-11-25-22(30)20-21(29)18(28)7-8-26(20)27/h1-4,7-10,19,29H,5-6,11H2,(H,25,30).
What are the key properties of 1-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-5-hydroxy-2,3-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione?
1-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-5-hydroxy-2,3-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione has a molecular weight of 409.39 g/mol, XLogP of 2.36, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-difluoro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-5-hydroxy-2,3-dihydropyrido[2,1-f][1,2,4]triazine-4,6-dione is sourced from PubChem (CID 134484255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).