2-amino-3-methylidene-7-methylsulfanylindeno[2,1-e][1,2,4]triazin-5-one

C12H10N4OS — CID 142105931

IUPAC2-amino-3-methylidene-7-methylsulfanylindeno[2,1-e][1,2,4]triazin-5-one
SMILESC=C1N=C2C(=O)c3cc(SC)ccc3C2=NN1N
InChIInChI=1S/C12H10N4OS/c1-6-14-11-10(15-16(6)13)8-4-3-7(18-2)5-9(8)12(11)17/h3-5H,1,13H2,2H3
InChIKeyPDRHDEBCYIXPNV-UHFFFAOYSA-N
MW258.31 g/mol
LogP1.41
Rot. Bonds1

About 2-amino-3-methylidene-7-methylsulfanylindeno[2,1-e][1,2,4]triazin-5-one

2-amino-3-methylidene-7-methylsulfanylindeno[2,1-e][1,2,4]triazin-5-one (PubChem CID 142105931) has the molecular formula C12H10N4OS and a molecular weight of 258.31 g/mol. Its IUPAC name is 2-amino-3-methylidene-7-methylsulfanylindeno[2,1-e][1,2,4]triazin-5-one.

Molecular Properties

Compound Name2-amino-3-methylidene-7-methylsulfanylindeno[2,1-e][1,2,4]triazin-5-one
PubChem CID142105931
Molecular FormulaC12H10N4OS
Molecular Weight258.31 g/mol
Exact Mass258.06
IUPAC Name2-amino-3-methylidene-7-methylsulfanylindeno[2,1-e][1,2,4]triazin-5-one
SMILESC=C1N=C2C(=O)c3cc(SC)ccc3C2=NN1N
InChIInChI=1S/C12H10N4OS/c1-6-14-11-10(15-16(6)13)8-4-3-7(18-2)5-9(8)12(11)17/h3-5H,1,13H2,2H3
InChIKeyPDRHDEBCYIXPNV-UHFFFAOYSA-N
XLogP1.41
TPSA71.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.31
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-amino-3-methylidene-7-methylsulfanylindeno[2,1-e][1,2,4]triazin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-methylidene-7-methylsulfanylindeno[2,1-e][1,2,4]triazin-5-one?
The IUPAC name of 2-amino-3-methylidene-7-methylsulfanylindeno[2,1-e][1,2,4]triazin-5-one (CID 142105931) is 2-amino-3-methylidene-7-methylsulfanylindeno[2,1-e][1,2,4]triazin-5-one.
What is the SMILES notation for 2-amino-3-methylidene-7-methylsulfanylindeno[2,1-e][1,2,4]triazin-5-one?
The canonical SMILES for 2-amino-3-methylidene-7-methylsulfanylindeno[2,1-e][1,2,4]triazin-5-one is C=C1N=C2C(=O)c3cc(SC)ccc3C2=NN1N.
What is the InChIKey of 2-amino-3-methylidene-7-methylsulfanylindeno[2,1-e][1,2,4]triazin-5-one?
The InChIKey is PDRHDEBCYIXPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4OS/c1-6-14-11-10(15-16(6)13)8-4-3-7(18-2)5-9(8)12(11)17/h3-5H,1,13H2,2H3.
What are the key properties of 2-amino-3-methylidene-7-methylsulfanylindeno[2,1-e][1,2,4]triazin-5-one?
2-amino-3-methylidene-7-methylsulfanylindeno[2,1-e][1,2,4]triazin-5-one has a molecular weight of 258.31 g/mol, XLogP of 1.41, 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-7-methylsulfanylindeno[2,1-e][1,2,4]triazin-5-one is sourced from PubChem (CID 142105931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).