3-methylidene-2-(methylideneamino)-8-methylsulfanylindeno[2,3-e][1,2,4]triazin-5-one

C13H10N4OS — CID 142105941

IUPAC3-methylidene-2-(methylideneamino)-8-methylsulfanylindeno[2,3-e][1,2,4]triazin-5-one
SMILESC=NN1N=C2C(=NC1=C)C(=O)c1ccc(SC)cc12
InChIInChI=1S/C13H10N4OS/c1-7-15-12-11(16-17(7)14-2)10-6-8(19-3)4-5-9(10)13(12)18/h4-6H,1-2H2,3H3
InChIKeyAXQGPOOYSDMSLP-UHFFFAOYSA-N
MW270.32 g/mol
LogP2.15
Rot. Bonds2

About 3-methylidene-2-(methylideneamino)-8-methylsulfanylindeno[2,3-e][1,2,4]triazin-5-one

3-methylidene-2-(methylideneamino)-8-methylsulfanylindeno[2,3-e][1,2,4]triazin-5-one (PubChem CID 142105941) has the molecular formula C13H10N4OS and a molecular weight of 270.32 g/mol. Its IUPAC name is 3-methylidene-2-(methylideneamino)-8-methylsulfanylindeno[2,3-e][1,2,4]triazin-5-one.

Molecular Properties

Compound Name3-methylidene-2-(methylideneamino)-8-methylsulfanylindeno[2,3-e][1,2,4]triazin-5-one
PubChem CID142105941
Molecular FormulaC13H10N4OS
Molecular Weight270.32 g/mol
Exact Mass270.06
IUPAC Name3-methylidene-2-(methylideneamino)-8-methylsulfanylindeno[2,3-e][1,2,4]triazin-5-one
SMILESC=NN1N=C2C(=NC1=C)C(=O)c1ccc(SC)cc12
InChIInChI=1S/C13H10N4OS/c1-7-15-12-11(16-17(7)14-2)10-6-8(19-3)4-5-9(10)13(12)18/h4-6H,1-2H2,3H3
InChIKeyAXQGPOOYSDMSLP-UHFFFAOYSA-N
XLogP2.15
TPSA57.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-2-(methylideneamino)-8-methylsulfanylindeno[2,3-e][1,2,4]triazin-5-one?
The IUPAC name of 3-methylidene-2-(methylideneamino)-8-methylsulfanylindeno[2,3-e][1,2,4]triazin-5-one (CID 142105941) is 3-methylidene-2-(methylideneamino)-8-methylsulfanylindeno[2,3-e][1,2,4]triazin-5-one.
What is the SMILES notation for 3-methylidene-2-(methylideneamino)-8-methylsulfanylindeno[2,3-e][1,2,4]triazin-5-one?
The canonical SMILES for 3-methylidene-2-(methylideneamino)-8-methylsulfanylindeno[2,3-e][1,2,4]triazin-5-one is C=NN1N=C2C(=NC1=C)C(=O)c1ccc(SC)cc12.
What is the InChIKey of 3-methylidene-2-(methylideneamino)-8-methylsulfanylindeno[2,3-e][1,2,4]triazin-5-one?
The InChIKey is AXQGPOOYSDMSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4OS/c1-7-15-12-11(16-17(7)14-2)10-6-8(19-3)4-5-9(10)13(12)18/h4-6H,1-2H2,3H3.
What are the key properties of 3-methylidene-2-(methylideneamino)-8-methylsulfanylindeno[2,3-e][1,2,4]triazin-5-one?
3-methylidene-2-(methylideneamino)-8-methylsulfanylindeno[2,3-e][1,2,4]triazin-5-one has a molecular weight of 270.32 g/mol, XLogP of 2.15, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-2-(methylideneamino)-8-methylsulfanylindeno[2,3-e][1,2,4]triazin-5-one is sourced from PubChem (CID 142105941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).