4-methyl-6-phenyl-2H-1,2,4-triazine-3,5-dithione

C10H9N3S2 — CID 5370709

IUPAC4-methyl-6-phenyl-2H-1,2,4-triazine-3,5-dithione
SMILESCn1c(=S)[nH]nc(-c2ccccc2)c1=S
InChIInChI=1S/C10H9N3S2/c1-13-9(14)8(11-12-10(13)15)7-5-3-2-4-6-7/h2-6H,1H3,(H,12,15)
InChIKeyINZMPTVHJKRIOB-UHFFFAOYSA-N
MW235.34 g/mol
LogP2.87
Rot. Bonds1

About 4-methyl-6-phenyl-2H-1,2,4-triazine-3,5-dithione

4-methyl-6-phenyl-2H-1,2,4-triazine-3,5-dithione (PubChem CID 5370709) has the molecular formula C10H9N3S2 and a molecular weight of 235.34 g/mol. Its IUPAC name is 4-methyl-6-phenyl-2H-1,2,4-triazine-3,5-dithione.

Molecular Properties

Compound Name4-methyl-6-phenyl-2H-1,2,4-triazine-3,5-dithione
PubChem CID5370709
Molecular FormulaC10H9N3S2
Molecular Weight235.34 g/mol
Exact Mass235.02
IUPAC Name4-methyl-6-phenyl-2H-1,2,4-triazine-3,5-dithione
SMILESCn1c(=S)[nH]nc(-c2ccccc2)c1=S
InChIInChI=1S/C10H9N3S2/c1-13-9(14)8(11-12-10(13)15)7-5-3-2-4-6-7/h2-6H,1H3,(H,12,15)
InChIKeyINZMPTVHJKRIOB-UHFFFAOYSA-N
XLogP2.87
TPSA33.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-methyl-6-phenyl-2H-1,2,4-triazine-3,5-dithione 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 4-methyl-6-phenyl-2H-1,2,4-triazine-3,5-dithione?
The IUPAC name of 4-methyl-6-phenyl-2H-1,2,4-triazine-3,5-dithione (CID 5370709) is 4-methyl-6-phenyl-2H-1,2,4-triazine-3,5-dithione.
What is the SMILES notation for 4-methyl-6-phenyl-2H-1,2,4-triazine-3,5-dithione?
The canonical SMILES for 4-methyl-6-phenyl-2H-1,2,4-triazine-3,5-dithione is Cn1c(=S)[nH]nc(-c2ccccc2)c1=S.
What is the InChIKey of 4-methyl-6-phenyl-2H-1,2,4-triazine-3,5-dithione?
The InChIKey is INZMPTVHJKRIOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3S2/c1-13-9(14)8(11-12-10(13)15)7-5-3-2-4-6-7/h2-6H,1H3,(H,12,15).
What are the key properties of 4-methyl-6-phenyl-2H-1,2,4-triazine-3,5-dithione?
4-methyl-6-phenyl-2H-1,2,4-triazine-3,5-dithione has a molecular weight of 235.34 g/mol, XLogP of 2.87, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-phenyl-2H-1,2,4-triazine-3,5-dithione is sourced from PubChem (CID 5370709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).