2-methyl-3-methylimino-7-methylsulfanylindeno[1,2-e][1,2,4]triazin-9-one

C13H12N4OS — CID 142105961

IUPAC2-methyl-3-methylimino-7-methylsulfanylindeno[1,2-e][1,2,4]triazin-9-one
SMILESC/N=c1\nc2c(nn1C)C(=O)c1cc(SC)ccc1-2
InChIInChI=1S/C13H12N4OS/c1-14-13-15-10-8-5-4-7(19-3)6-9(8)12(18)11(10)16-17(13)2/h4-6H,1-3H3/b14-13+
InChIKeyYPXLSOZGYNHYDH-BUHFOSPRSA-N
MW272.33 g/mol
LogP1.28
Rot. Bonds1

About 2-methyl-3-methylimino-7-methylsulfanylindeno[1,2-e][1,2,4]triazin-9-one

2-methyl-3-methylimino-7-methylsulfanylindeno[1,2-e][1,2,4]triazin-9-one (PubChem CID 142105961) has the molecular formula C13H12N4OS and a molecular weight of 272.33 g/mol. Its IUPAC name is 2-methyl-3-methylimino-7-methylsulfanylindeno[1,2-e][1,2,4]triazin-9-one.

Molecular Properties

Compound Name2-methyl-3-methylimino-7-methylsulfanylindeno[1,2-e][1,2,4]triazin-9-one
PubChem CID142105961
Molecular FormulaC13H12N4OS
Molecular Weight272.33 g/mol
Exact Mass272.07
IUPAC Name2-methyl-3-methylimino-7-methylsulfanylindeno[1,2-e][1,2,4]triazin-9-one
SMILESC/N=c1\nc2c(nn1C)C(=O)c1cc(SC)ccc1-2
InChIInChI=1S/C13H12N4OS/c1-14-13-15-10-8-5-4-7(19-3)6-9(8)12(18)11(10)16-17(13)2/h4-6H,1-3H3/b14-13+
InChIKeyYPXLSOZGYNHYDH-BUHFOSPRSA-N
XLogP1.28
TPSA60.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.33
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methylimino-7-methylsulfanylindeno[1,2-e][1,2,4]triazin-9-one?
The IUPAC name of 2-methyl-3-methylimino-7-methylsulfanylindeno[1,2-e][1,2,4]triazin-9-one (CID 142105961) is 2-methyl-3-methylimino-7-methylsulfanylindeno[1,2-e][1,2,4]triazin-9-one.
What is the SMILES notation for 2-methyl-3-methylimino-7-methylsulfanylindeno[1,2-e][1,2,4]triazin-9-one?
The canonical SMILES for 2-methyl-3-methylimino-7-methylsulfanylindeno[1,2-e][1,2,4]triazin-9-one is C/N=c1\nc2c(nn1C)C(=O)c1cc(SC)ccc1-2.
What is the InChIKey of 2-methyl-3-methylimino-7-methylsulfanylindeno[1,2-e][1,2,4]triazin-9-one?
The InChIKey is YPXLSOZGYNHYDH-BUHFOSPRSA-N. The full InChI is InChI=1S/C13H12N4OS/c1-14-13-15-10-8-5-4-7(19-3)6-9(8)12(18)11(10)16-17(13)2/h4-6H,1-3H3/b14-13+.
What are the key properties of 2-methyl-3-methylimino-7-methylsulfanylindeno[1,2-e][1,2,4]triazin-9-one?
2-methyl-3-methylimino-7-methylsulfanylindeno[1,2-e][1,2,4]triazin-9-one has a molecular weight of 272.33 g/mol, XLogP of 1.28, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methylimino-7-methylsulfanylindeno[1,2-e][1,2,4]triazin-9-one is sourced from PubChem (CID 142105961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).