3-phenyl-[1]benzothiolo[3,2-d]triazin-4-one

C15H9N3OS — CID 118706321

IUPAC3-phenyl-[1]benzothiolo[3,2-d]triazin-4-one
SMILESO=c1c2sc3ccccc3c2nnn1-c1ccccc1
InChIInChI=1S/C15H9N3OS/c19-15-14-13(11-8-4-5-9-12(11)20-14)16-17-18(15)10-6-2-1-3-7-10/h1-9H
InChIKeyMWCRQVSXLLQUNX-UHFFFAOYSA-N
MW279.32 g/mol
LogP3.00
Rot. Bonds1

About 3-phenyl-[1]benzothiolo[3,2-d]triazin-4-one

3-phenyl-[1]benzothiolo[3,2-d]triazin-4-one (PubChem CID 118706321) has the molecular formula C15H9N3OS and a molecular weight of 279.32 g/mol. Its IUPAC name is 3-phenyl-[1]benzothiolo[3,2-d]triazin-4-one.

Molecular Properties

Compound Name3-phenyl-[1]benzothiolo[3,2-d]triazin-4-one
PubChem CID118706321
Molecular FormulaC15H9N3OS
Molecular Weight279.32 g/mol
Exact Mass279.05
IUPAC Name3-phenyl-[1]benzothiolo[3,2-d]triazin-4-one
SMILESO=c1c2sc3ccccc3c2nnn1-c1ccccc1
InChIInChI=1S/C15H9N3OS/c19-15-14-13(11-8-4-5-9-12(11)20-14)16-17-18(15)10-6-2-1-3-7-10/h1-9H
InChIKeyMWCRQVSXLLQUNX-UHFFFAOYSA-N
XLogP3.00
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-[1]benzothiolo[3,2-d]triazin-4-one?
The IUPAC name of 3-phenyl-[1]benzothiolo[3,2-d]triazin-4-one (CID 118706321) is 3-phenyl-[1]benzothiolo[3,2-d]triazin-4-one.
What is the SMILES notation for 3-phenyl-[1]benzothiolo[3,2-d]triazin-4-one?
The canonical SMILES for 3-phenyl-[1]benzothiolo[3,2-d]triazin-4-one is O=c1c2sc3ccccc3c2nnn1-c1ccccc1.
What is the InChIKey of 3-phenyl-[1]benzothiolo[3,2-d]triazin-4-one?
The InChIKey is MWCRQVSXLLQUNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9N3OS/c19-15-14-13(11-8-4-5-9-12(11)20-14)16-17-18(15)10-6-2-1-3-7-10/h1-9H.
What are the key properties of 3-phenyl-[1]benzothiolo[3,2-d]triazin-4-one?
3-phenyl-[1]benzothiolo[3,2-d]triazin-4-one has a molecular weight of 279.32 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-[1]benzothiolo[3,2-d]triazin-4-one is sourced from PubChem (CID 118706321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).