ethene;2-methyl-3-methylimino-6-methylsulfanylindeno[1,2-e][1,2,4]triazin-9-one

C15H16N4OS — CID 142106002

IUPACethene;2-methyl-3-methylimino-6-methylsulfanylindeno[1,2-e][1,2,4]triazin-9-one
SMILESC/N=c1\nc2c(nn1C)C(=O)c1ccc(SC)cc1-2.C=C
InChIInChI=1S/C13H12N4OS.C2H4/c1-14-13-15-10-9-6-7(19-3)4-5-8(9)12(18)11(10)16-17(13)2;1-2/h4-6H,1-3H3;1-2H2/b14-13+;
InChIKeyYMPCUCHMDJWJIQ-IERUDJENSA-N
MW300.39 g/mol
LogP2.08
Rot. Bonds1

About ethene;2-methyl-3-methylimino-6-methylsulfanylindeno[1,2-e][1,2,4]triazin-9-one

ethene;2-methyl-3-methylimino-6-methylsulfanylindeno[1,2-e][1,2,4]triazin-9-one (PubChem CID 142106002) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is ethene;2-methyl-3-methylimino-6-methylsulfanylindeno[1,2-e][1,2,4]triazin-9-one.

Molecular Properties

Compound Nameethene;2-methyl-3-methylimino-6-methylsulfanylindeno[1,2-e][1,2,4]triazin-9-one
PubChem CID142106002
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Nameethene;2-methyl-3-methylimino-6-methylsulfanylindeno[1,2-e][1,2,4]triazin-9-one
SMILESC/N=c1\nc2c(nn1C)C(=O)c1ccc(SC)cc1-2.C=C
InChIInChI=1S/C13H12N4OS.C2H4/c1-14-13-15-10-9-6-7(19-3)4-5-8(9)12(18)11(10)16-17(13)2;1-2/h4-6H,1-3H3;1-2H2/b14-13+;
InChIKeyYMPCUCHMDJWJIQ-IERUDJENSA-N
XLogP2.08
TPSA60.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethene;2-methyl-3-methylimino-6-methylsulfanylindeno[1,2-e][1,2,4]triazin-9-one?
The IUPAC name of ethene;2-methyl-3-methylimino-6-methylsulfanylindeno[1,2-e][1,2,4]triazin-9-one (CID 142106002) is ethene;2-methyl-3-methylimino-6-methylsulfanylindeno[1,2-e][1,2,4]triazin-9-one.
What is the SMILES notation for ethene;2-methyl-3-methylimino-6-methylsulfanylindeno[1,2-e][1,2,4]triazin-9-one?
The canonical SMILES for ethene;2-methyl-3-methylimino-6-methylsulfanylindeno[1,2-e][1,2,4]triazin-9-one is C/N=c1\nc2c(nn1C)C(=O)c1ccc(SC)cc1-2.C=C.
What is the InChIKey of ethene;2-methyl-3-methylimino-6-methylsulfanylindeno[1,2-e][1,2,4]triazin-9-one?
The InChIKey is YMPCUCHMDJWJIQ-IERUDJENSA-N. The full InChI is InChI=1S/C13H12N4OS.C2H4/c1-14-13-15-10-9-6-7(19-3)4-5-8(9)12(18)11(10)16-17(13)2;1-2/h4-6H,1-3H3;1-2H2/b14-13+;.
What are the key properties of ethene;2-methyl-3-methylimino-6-methylsulfanylindeno[1,2-e][1,2,4]triazin-9-one?
ethene;2-methyl-3-methylimino-6-methylsulfanylindeno[1,2-e][1,2,4]triazin-9-one has a molecular weight of 300.39 g/mol, XLogP of 2.08, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;2-methyl-3-methylimino-6-methylsulfanylindeno[1,2-e][1,2,4]triazin-9-one is sourced from PubChem (CID 142106002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).