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

C24H22FN3O3 — CID 88612464

IUPAC3-(2-fluoroethyl)-5-hydroxy-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESO=C1c2c(O)c(=O)ccn2N(C2c3ccccc3CCc3ccccc32)CN1CCF
InChIInChI=1S/C24H22FN3O3/c25-12-14-26-15-28(27-13-11-20(29)23(30)22(27)24(26)31)21-18-7-3-1-5-16(18)9-10-17-6-2-4-8-19(17)21/h1-8,11,13,21,30H,9-10,12,14-15H2
InChIKeyAQNSPFXPMQJBDV-UHFFFAOYSA-N
MW419.46 g/mol
LogP2.76
Rot. Bonds3

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

3-(2-fluoroethyl)-5-hydroxy-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione (PubChem CID 88612464) has the molecular formula C24H22FN3O3 and a molecular weight of 419.46 g/mol. Its IUPAC name is 3-(2-fluoroethyl)-5-hydroxy-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione.

Molecular Properties

Compound Name3-(2-fluoroethyl)-5-hydroxy-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
PubChem CID88612464
Molecular FormulaC24H22FN3O3
Molecular Weight419.46 g/mol
Exact Mass419.16
IUPAC Name3-(2-fluoroethyl)-5-hydroxy-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione
SMILESO=C1c2c(O)c(=O)ccn2N(C2c3ccccc3CCc3ccccc32)CN1CCF
InChIInChI=1S/C24H22FN3O3/c25-12-14-26-15-28(27-13-11-20(29)23(30)22(27)24(26)31)21-18-7-3-1-5-16(18)9-10-17-6-2-4-8-19(17)21/h1-8,11,13,21,30H,9-10,12,14-15H2
InChIKeyAQNSPFXPMQJBDV-UHFFFAOYSA-N
XLogP2.76
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-fluoroethyl)-5-hydroxy-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-2H-pyrido[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 3-(2-fluoroethyl)-5-hydroxy-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The IUPAC name of 3-(2-fluoroethyl)-5-hydroxy-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione (CID 88612464) is 3-(2-fluoroethyl)-5-hydroxy-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione.
What is the SMILES notation for 3-(2-fluoroethyl)-5-hydroxy-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The canonical SMILES for 3-(2-fluoroethyl)-5-hydroxy-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione is O=C1c2c(O)c(=O)ccn2N(C2c3ccccc3CCc3ccccc32)CN1CCF.
What is the InChIKey of 3-(2-fluoroethyl)-5-hydroxy-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
The InChIKey is AQNSPFXPMQJBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O3/c25-12-14-26-15-28(27-13-11-20(29)23(30)22(27)24(26)31)21-18-7-3-1-5-16(18)9-10-17-6-2-4-8-19(17)21/h1-8,11,13,21,30H,9-10,12,14-15H2.
What are the key properties of 3-(2-fluoroethyl)-5-hydroxy-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione?
3-(2-fluoroethyl)-5-hydroxy-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione has a molecular weight of 419.46 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroethyl)-5-hydroxy-1-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-2H-pyrido[2,1-f][1,2,4]triazine-4,6-dione is sourced from PubChem (CID 88612464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).