4-[7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1H-pyridin-2-one

C25H23N5O — CID 177068371

IUPAC4-[7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1H-pyridin-2-one
SMILESO=c1cc(-c2nnc3n2CCN(C2c4ccccc4CCc4ccccc42)C3)cc[nH]1
InChIInChI=1S/C25H23N5O/c31-23-15-19(11-12-26-23)25-28-27-22-16-29(13-14-30(22)25)24-20-7-3-1-5-17(20)9-10-18-6-2-4-8-21(18)24/h1-8,11-12,15,24H,9-10,13-14,16H2,(H,26,31)
InChIKeyQBZUVZNKULXNGG-UHFFFAOYSA-N
MW409.49 g/mol
LogP3.34
Rot. Bonds2

About 4-[7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1H-pyridin-2-one

4-[7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1H-pyridin-2-one (PubChem CID 177068371) has the molecular formula C25H23N5O and a molecular weight of 409.49 g/mol. Its IUPAC name is 4-[7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1H-pyridin-2-one
PubChem CID177068371
Molecular FormulaC25H23N5O
Molecular Weight409.49 g/mol
Exact Mass409.19
IUPAC Name4-[7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1H-pyridin-2-one
SMILESO=c1cc(-c2nnc3n2CCN(C2c4ccccc4CCc4ccccc42)C3)cc[nH]1
InChIInChI=1S/C25H23N5O/c31-23-15-19(11-12-26-23)25-28-27-22-16-29(13-14-30(22)25)24-20-7-3-1-5-17(20)9-10-18-6-2-4-8-21(18)24/h1-8,11-12,15,24H,9-10,13-14,16H2,(H,26,31)
InChIKeyQBZUVZNKULXNGG-UHFFFAOYSA-N
XLogP3.34
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1H-pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1H-pyridin-2-one (CID 177068371) is 4-[7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1H-pyridin-2-one is O=c1cc(-c2nnc3n2CCN(C2c4ccccc4CCc4ccccc42)C3)cc[nH]1.
What is the InChIKey of 4-[7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1H-pyridin-2-one?
The InChIKey is QBZUVZNKULXNGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O/c31-23-15-19(11-12-26-23)25-28-27-22-16-29(13-14-30(22)25)24-20-7-3-1-5-17(20)9-10-18-6-2-4-8-21(18)24/h1-8,11-12,15,24H,9-10,13-14,16H2,(H,26,31).
What are the key properties of 4-[7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1H-pyridin-2-one?
4-[7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1H-pyridin-2-one has a molecular weight of 409.49 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl]-1H-pyridin-2-one is sourced from PubChem (CID 177068371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).