3-sulfanylidene-2H-indeno[2,1-e][1,2,4]triazin-5-one

C10H5N3OS — CID 1111681

IUPAC3-sulfanylidene-2H-indeno[2,1-e][1,2,4]triazin-5-one
SMILESO=C1c2ccccc2-c2n[nH]c(=S)nc21
InChIInChI=1S/C10H5N3OS/c14-9-6-4-2-1-3-5(6)7-8(9)11-10(15)13-12-7/h1-4H,(H,11,13,15)
InChIKeyUUHBXDGGIBCXQJ-UHFFFAOYSA-N
MW215.24 g/mol
LogP1.75
Rot. Bonds

About 3-sulfanylidene-2H-indeno[2,1-e][1,2,4]triazin-5-one

3-sulfanylidene-2H-indeno[2,1-e][1,2,4]triazin-5-one (PubChem CID 1111681) has the molecular formula C10H5N3OS and a molecular weight of 215.24 g/mol. Its IUPAC name is 3-sulfanylidene-2H-indeno[2,1-e][1,2,4]triazin-5-one.

Molecular Properties

Compound Name3-sulfanylidene-2H-indeno[2,1-e][1,2,4]triazin-5-one
PubChem CID1111681
Molecular FormulaC10H5N3OS
Molecular Weight215.24 g/mol
Exact Mass215.02
IUPAC Name3-sulfanylidene-2H-indeno[2,1-e][1,2,4]triazin-5-one
SMILESO=C1c2ccccc2-c2n[nH]c(=S)nc21
InChIInChI=1S/C10H5N3OS/c14-9-6-4-2-1-3-5(6)7-8(9)11-10(15)13-12-7/h1-4H,(H,11,13,15)
InChIKeyUUHBXDGGIBCXQJ-UHFFFAOYSA-N
XLogP1.75
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-sulfanylidene-2H-indeno[2,1-e][1,2,4]triazin-5-one?
The IUPAC name of 3-sulfanylidene-2H-indeno[2,1-e][1,2,4]triazin-5-one (CID 1111681) is 3-sulfanylidene-2H-indeno[2,1-e][1,2,4]triazin-5-one.
What is the SMILES notation for 3-sulfanylidene-2H-indeno[2,1-e][1,2,4]triazin-5-one?
The canonical SMILES for 3-sulfanylidene-2H-indeno[2,1-e][1,2,4]triazin-5-one is O=C1c2ccccc2-c2n[nH]c(=S)nc21.
What is the InChIKey of 3-sulfanylidene-2H-indeno[2,1-e][1,2,4]triazin-5-one?
The InChIKey is UUHBXDGGIBCXQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5N3OS/c14-9-6-4-2-1-3-5(6)7-8(9)11-10(15)13-12-7/h1-4H,(H,11,13,15).
What are the key properties of 3-sulfanylidene-2H-indeno[2,1-e][1,2,4]triazin-5-one?
3-sulfanylidene-2H-indeno[2,1-e][1,2,4]triazin-5-one has a molecular weight of 215.24 g/mol, XLogP of 1.75, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-sulfanylidene-2H-indeno[2,1-e][1,2,4]triazin-5-one is sourced from PubChem (CID 1111681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).