3-benzyl-6-phenylthieno[3,2-d]triazin-4-one

C18H13N3OS — CID 59595046

IUPAC3-benzyl-6-phenylthieno[3,2-d]triazin-4-one
SMILESO=c1c2sc(-c3ccccc3)cc2nnn1Cc1ccccc1
InChIInChI=1S/C18H13N3OS/c22-18-17-15(11-16(23-17)14-9-5-2-6-10-14)19-20-21(18)12-13-7-3-1-4-8-13/h1-11H,12H2
InChIKeyKRGUFHZYBUDBFI-UHFFFAOYSA-N
MW319.39 g/mol
LogP3.57
Rot. Bonds3

About 3-benzyl-6-phenylthieno[3,2-d]triazin-4-one

3-benzyl-6-phenylthieno[3,2-d]triazin-4-one (PubChem CID 59595046) has the molecular formula C18H13N3OS and a molecular weight of 319.39 g/mol. Its IUPAC name is 3-benzyl-6-phenylthieno[3,2-d]triazin-4-one.

Molecular Properties

Compound Name3-benzyl-6-phenylthieno[3,2-d]triazin-4-one
PubChem CID59595046
Molecular FormulaC18H13N3OS
Molecular Weight319.39 g/mol
Exact Mass319.08
IUPAC Name3-benzyl-6-phenylthieno[3,2-d]triazin-4-one
SMILESO=c1c2sc(-c3ccccc3)cc2nnn1Cc1ccccc1
InChIInChI=1S/C18H13N3OS/c22-18-17-15(11-16(23-17)14-9-5-2-6-10-14)19-20-21(18)12-13-7-3-1-4-8-13/h1-11H,12H2
InChIKeyKRGUFHZYBUDBFI-UHFFFAOYSA-N
XLogP3.57
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-6-phenylthieno[3,2-d]triazin-4-one?
The IUPAC name of 3-benzyl-6-phenylthieno[3,2-d]triazin-4-one (CID 59595046) is 3-benzyl-6-phenylthieno[3,2-d]triazin-4-one.
What is the SMILES notation for 3-benzyl-6-phenylthieno[3,2-d]triazin-4-one?
The canonical SMILES for 3-benzyl-6-phenylthieno[3,2-d]triazin-4-one is O=c1c2sc(-c3ccccc3)cc2nnn1Cc1ccccc1.
What is the InChIKey of 3-benzyl-6-phenylthieno[3,2-d]triazin-4-one?
The InChIKey is KRGUFHZYBUDBFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3OS/c22-18-17-15(11-16(23-17)14-9-5-2-6-10-14)19-20-21(18)12-13-7-3-1-4-8-13/h1-11H,12H2.
What are the key properties of 3-benzyl-6-phenylthieno[3,2-d]triazin-4-one?
3-benzyl-6-phenylthieno[3,2-d]triazin-4-one has a molecular weight of 319.39 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-6-phenylthieno[3,2-d]triazin-4-one is sourced from PubChem (CID 59595046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).