3-(2,3-dihydroxypropyl)-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

C25H25N3O5 — CID 70368662

IUPAC3-(2,3-dihydroxypropyl)-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)CN1CC(O)CO
InChIInChI=1S/C25H25N3O5/c29-14-18(30)13-26-15-28(27-12-11-21(31)24(32)23(27)25(26)33)22-19-7-3-1-5-16(19)9-10-17-6-2-4-8-20(17)22/h1-8,11-12,18,22,29-30,32H,9-10,13-15H2
InChIKeyBRLMXJFFUCDMQP-UHFFFAOYSA-N
MW447.49 g/mol
LogP1.15
Rot. Bonds4

About 3-(2,3-dihydroxypropyl)-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-(2,3-dihydroxypropyl)-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 70368662) has the molecular formula C25H25N3O5 and a molecular weight of 447.49 g/mol. Its IUPAC name is 3-(2,3-dihydroxypropyl)-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-(2,3-dihydroxypropyl)-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 CID70368662
Molecular FormulaC25H25N3O5
Molecular Weight447.49 g/mol
Exact Mass447.18
IUPAC Name3-(2,3-dihydroxypropyl)-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)CN1CC(O)CO
InChIInChI=1S/C25H25N3O5/c29-14-18(30)13-26-15-28(27-12-11-21(31)24(32)23(27)25(26)33)22-19-7-3-1-5-16(19)9-10-17-6-2-4-8-20(17)22/h1-8,11-12,18,22,29-30,32H,9-10,13-15H2
InChIKeyBRLMXJFFUCDMQP-UHFFFAOYSA-N
XLogP1.15
TPSA106.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.49
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 3-(2,3-dihydroxypropyl)-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-(2,3-dihydroxypropyl)-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-(2,3-dihydroxypropyl)-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 70368662) is 3-(2,3-dihydroxypropyl)-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-(2,3-dihydroxypropyl)-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-(2,3-dihydroxypropyl)-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)CN1CC(O)CO.
What is the InChIKey of 3-(2,3-dihydroxypropyl)-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 BRLMXJFFUCDMQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O5/c29-14-18(30)13-26-15-28(27-12-11-21(31)24(32)23(27)25(26)33)22-19-7-3-1-5-16(19)9-10-17-6-2-4-8-20(17)22/h1-8,11-12,18,22,29-30,32H,9-10,13-15H2.
What are the key properties of 3-(2,3-dihydroxypropyl)-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-(2,3-dihydroxypropyl)-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 447.49 g/mol, XLogP of 1.15, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroxypropyl)-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 70368662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).