2-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]-1H-1,2,4-triazine-5,6-dione

C8H10N6O2S2 — CID 107786715

IUPAC2-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]-1H-1,2,4-triazine-5,6-dione
SMILESCNc1nnc(CSc2nc(=O)c(=O)[nH]n2C)s1
InChIInChI=1S/C8H10N6O2S2/c1-9-7-12-11-4(18-7)3-17-8-10-5(15)6(16)13-14(8)2/h3H2,1-2H3,(H,9,12)(H,13,16)
InChIKeyLMTSGCLFIMQKEY-UHFFFAOYSA-N
MW286.34 g/mol
LogP-0.35
Rot. Bonds4

About 2-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]-1H-1,2,4-triazine-5,6-dione

2-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]-1H-1,2,4-triazine-5,6-dione (PubChem CID 107786715) has the molecular formula C8H10N6O2S2 and a molecular weight of 286.34 g/mol. Its IUPAC name is 2-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]-1H-1,2,4-triazine-5,6-dione.

Molecular Properties

Compound Name2-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]-1H-1,2,4-triazine-5,6-dione
PubChem CID107786715
Molecular FormulaC8H10N6O2S2
Molecular Weight286.34 g/mol
Exact Mass286.03
IUPAC Name2-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]-1H-1,2,4-triazine-5,6-dione
SMILESCNc1nnc(CSc2nc(=O)c(=O)[nH]n2C)s1
InChIInChI=1S/C8H10N6O2S2/c1-9-7-12-11-4(18-7)3-17-8-10-5(15)6(16)13-14(8)2/h3H2,1-2H3,(H,9,12)(H,13,16)
InChIKeyLMTSGCLFIMQKEY-UHFFFAOYSA-N
XLogP-0.35
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]-1H-1,2,4-triazine-5,6-dione with MolForge

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

Launch Full Analysis

Related Compounds

3-[(5-hydrazinyl-1,3,4-thiadiazol-2-yl)methylsulfanyl]-2-methyl-1H-1,2,4-triazine-5,6-dione
CID 107782404
3-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]-2-methyl-1H-1,2,4-triazine-5,6-dione
CID 107786686
2-methyl-3-[[5-(propylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]-1H-1,2,4-triazine-5,6-dione
CID 107786687
3-[(5-amino-1,3,4-thiadiazol-2-yl)methylsulfanyl]-2-methyl-1H-1,2,4-triazine-5,6-dione
CID 107786722

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]-1H-1,2,4-triazine-5,6-dione?
The IUPAC name of 2-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]-1H-1,2,4-triazine-5,6-dione (CID 107786715) is 2-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]-1H-1,2,4-triazine-5,6-dione.
What is the SMILES notation for 2-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]-1H-1,2,4-triazine-5,6-dione?
The canonical SMILES for 2-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]-1H-1,2,4-triazine-5,6-dione is CNc1nnc(CSc2nc(=O)c(=O)[nH]n2C)s1.
What is the InChIKey of 2-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]-1H-1,2,4-triazine-5,6-dione?
The InChIKey is LMTSGCLFIMQKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O2S2/c1-9-7-12-11-4(18-7)3-17-8-10-5(15)6(16)13-14(8)2/h3H2,1-2H3,(H,9,12)(H,13,16).
What are the key properties of 2-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]-1H-1,2,4-triazine-5,6-dione?
2-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]-1H-1,2,4-triazine-5,6-dione has a molecular weight of 286.34 g/mol, XLogP of -0.35, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[5-(methylamino)-1,3,4-thiadiazol-2-yl]methylsulfanyl]-1H-1,2,4-triazine-5,6-dione is sourced from PubChem (CID 107786715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).