2-amino-3-methylidene-8-methylsulfanylindeno[2,3-e][1,2,4]triazin-5-one;ethane

C14H16N4OS — CID 142105924

IUPAC2-amino-3-methylidene-8-methylsulfanylindeno[2,3-e][1,2,4]triazin-5-one;ethane
SMILESC=C1N=C2C(=O)c3ccc(SC)cc3C2=NN1N.CC
InChIInChI=1S/C12H10N4OS.C2H6/c1-6-14-11-10(15-16(6)13)9-5-7(18-2)3-4-8(9)12(11)17;1-2/h3-5H,1,13H2,2H3;1-2H3
InChIKeyJAEPMJKDZUKWER-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.44
Rot. Bonds1

About 2-amino-3-methylidene-8-methylsulfanylindeno[2,3-e][1,2,4]triazin-5-one;ethane

2-amino-3-methylidene-8-methylsulfanylindeno[2,3-e][1,2,4]triazin-5-one;ethane (PubChem CID 142105924) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 2-amino-3-methylidene-8-methylsulfanylindeno[2,3-e][1,2,4]triazin-5-one;ethane.

Molecular Properties

Compound Name2-amino-3-methylidene-8-methylsulfanylindeno[2,3-e][1,2,4]triazin-5-one;ethane
PubChem CID142105924
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name2-amino-3-methylidene-8-methylsulfanylindeno[2,3-e][1,2,4]triazin-5-one;ethane
SMILESC=C1N=C2C(=O)c3ccc(SC)cc3C2=NN1N.CC
InChIInChI=1S/C12H10N4OS.C2H6/c1-6-14-11-10(15-16(6)13)9-5-7(18-2)3-4-8(9)12(11)17;1-2/h3-5H,1,13H2,2H3;1-2H3
InChIKeyJAEPMJKDZUKWER-UHFFFAOYSA-N
XLogP2.44
TPSA71.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methylidene-8-methylsulfanylindeno[2,3-e][1,2,4]triazin-5-one;ethane?
The IUPAC name of 2-amino-3-methylidene-8-methylsulfanylindeno[2,3-e][1,2,4]triazin-5-one;ethane (CID 142105924) is 2-amino-3-methylidene-8-methylsulfanylindeno[2,3-e][1,2,4]triazin-5-one;ethane.
What is the SMILES notation for 2-amino-3-methylidene-8-methylsulfanylindeno[2,3-e][1,2,4]triazin-5-one;ethane?
The canonical SMILES for 2-amino-3-methylidene-8-methylsulfanylindeno[2,3-e][1,2,4]triazin-5-one;ethane is C=C1N=C2C(=O)c3ccc(SC)cc3C2=NN1N.CC.
What is the InChIKey of 2-amino-3-methylidene-8-methylsulfanylindeno[2,3-e][1,2,4]triazin-5-one;ethane?
The InChIKey is JAEPMJKDZUKWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS.C2H6/c1-6-14-11-10(15-16(6)13)9-5-7(18-2)3-4-8(9)12(11)17;1-2/h3-5H,1,13H2,2H3;1-2H3.
What are the key properties of 2-amino-3-methylidene-8-methylsulfanylindeno[2,3-e][1,2,4]triazin-5-one;ethane?
2-amino-3-methylidene-8-methylsulfanylindeno[2,3-e][1,2,4]triazin-5-one;ethane has a molecular weight of 288.38 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-methylidene-8-methylsulfanylindeno[2,3-e][1,2,4]triazin-5-one;ethane is sourced from PubChem (CID 142105924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).