gold;6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one

C4H5AuN3OS — CID 174841521

IUPACgold;6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one
SMILESCc1n[nH]c(=S)[nH]c1=O.[Au]
InChIInChI=1S/C4H5N3OS.Au/c1-2-3(8)5-4(9)7-6-2;/h1H3,(H2,5,7,8,9);
InChIKeyNNMUCAFNERVLAB-UHFFFAOYSA-N
MW340.14 g/mol
LogP0.13
Rot. Bonds

About gold;6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one

gold;6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one (PubChem CID 174841521) has the molecular formula C4H5AuN3OS and a molecular weight of 340.14 g/mol. Its IUPAC name is gold;6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one.

Molecular Properties

Compound Namegold;6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one
PubChem CID174841521
Molecular FormulaC4H5AuN3OS
Molecular Weight340.14 g/mol
Exact Mass339.98
IUPAC Namegold;6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one
SMILESCc1n[nH]c(=S)[nH]c1=O.[Au]
InChIInChI=1S/C4H5N3OS.Au/c1-2-3(8)5-4(9)7-6-2;/h1H3,(H2,5,7,8,9);
InChIKeyNNMUCAFNERVLAB-UHFFFAOYSA-N
XLogP0.13
TPSA61.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.14
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze gold;6-methyl-3-sulfanylidene-2H-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 gold;6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one?
The IUPAC name of gold;6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one (CID 174841521) is gold;6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one.
What is the SMILES notation for gold;6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one?
The canonical SMILES for gold;6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one is Cc1n[nH]c(=S)[nH]c1=O.[Au].
What is the InChIKey of gold;6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one?
The InChIKey is NNMUCAFNERVLAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3OS.Au/c1-2-3(8)5-4(9)7-6-2;/h1H3,(H2,5,7,8,9);.
What are the key properties of gold;6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one?
gold;6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one has a molecular weight of 340.14 g/mol, XLogP of 0.13, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for gold;6-methyl-3-sulfanylidene-2H-1,2,4-triazin-5-one is sourced from PubChem (CID 174841521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).