3-(2-methoxyethylsulfanyl)-5-(3-methylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine

C10H12N6OS2 — CID 155565039

IUPAC3-(2-methoxyethylsulfanyl)-5-(3-methylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine
SMILESCOCCSc1nncc(-c2cnnc(SC)n2)n1
InChIInChI=1S/C10H12N6OS2/c1-17-3-4-19-10-14-8(6-12-16-10)7-5-11-15-9(13-7)18-2/h5-6H,3-4H2,1-2H3
InChIKeyXFPUKPZOFVIEMD-UHFFFAOYSA-N
MW296.38 g/mol
LogP1.18
Rot. Bonds6

About 3-(2-methoxyethylsulfanyl)-5-(3-methylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine

3-(2-methoxyethylsulfanyl)-5-(3-methylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine (PubChem CID 155565039) has the molecular formula C10H12N6OS2 and a molecular weight of 296.38 g/mol. Its IUPAC name is 3-(2-methoxyethylsulfanyl)-5-(3-methylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine.

Molecular Properties

Compound Name3-(2-methoxyethylsulfanyl)-5-(3-methylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine
PubChem CID155565039
Molecular FormulaC10H12N6OS2
Molecular Weight296.38 g/mol
Exact Mass296.05
IUPAC Name3-(2-methoxyethylsulfanyl)-5-(3-methylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine
SMILESCOCCSc1nncc(-c2cnnc(SC)n2)n1
InChIInChI=1S/C10H12N6OS2/c1-17-3-4-19-10-14-8(6-12-16-10)7-5-11-15-9(13-7)18-2/h5-6H,3-4H2,1-2H3
InChIKeyXFPUKPZOFVIEMD-UHFFFAOYSA-N
XLogP1.18
TPSA86.57 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 3-(2-methoxyethylsulfanyl)-5-(3-methylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine 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-(2-methoxyethoxy)-5-(3-methylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine
CID 155556746
3-methylsulfanyl-5-(3-prop-2-ynylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine
CID 164626362
3-[[5-[3-(3-hydroxypropylsulfanyl)-1,2,4-triazin-5-yl]-1,2,4-triazin-3-yl]sulfanyl]propan-1-ol
CID 155541037
2-(2-methoxyethylsulfanyl)-4,6-dimethylpyrimidine
CID 4204325
3-(2-methoxyethoxy)-5-[3-(2-methoxyethoxy)-1,2,4-triazin-5-yl]-1,2,4-triazine
CID 164620136
N,N-dimethyl-2-[[5-(3-propoxy-1,2,4-triazin-5-yl)-1,2,4-triazin-3-yl]sulfanyl]ethanamine
CID 164620224
5-[4-(4-methylphenyl)phenyl]-3-methylsulfanyl-1,2,4-triazine
CID 11022739
3-methylsulfanyl-5-(2,4,6-trimethylphenyl)-1,2,4-triazine
CID 12853065
5-methyl-3-methylsulfanyl-1,2,4-triazine
CID 12503454
5-bromo-2-(3-methoxypropylsulfanyl)pyrimidine
CID 63867246
2-chloro-4-methoxy-6-(2-methoxyethylsulfanyl)-1,3,5-triazine
CID 62858857
5-(3-methylnaphthalen-2-yl)-3-methylsulfanyl-1,2,4-triazine
CID 118473829

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethylsulfanyl)-5-(3-methylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine?
The IUPAC name of 3-(2-methoxyethylsulfanyl)-5-(3-methylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine (CID 155565039) is 3-(2-methoxyethylsulfanyl)-5-(3-methylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine.
What is the SMILES notation for 3-(2-methoxyethylsulfanyl)-5-(3-methylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine?
The canonical SMILES for 3-(2-methoxyethylsulfanyl)-5-(3-methylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine is COCCSc1nncc(-c2cnnc(SC)n2)n1.
What is the InChIKey of 3-(2-methoxyethylsulfanyl)-5-(3-methylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine?
The InChIKey is XFPUKPZOFVIEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6OS2/c1-17-3-4-19-10-14-8(6-12-16-10)7-5-11-15-9(13-7)18-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 3-(2-methoxyethylsulfanyl)-5-(3-methylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine?
3-(2-methoxyethylsulfanyl)-5-(3-methylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine has a molecular weight of 296.38 g/mol, XLogP of 1.18, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethylsulfanyl)-5-(3-methylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine is sourced from PubChem (CID 155565039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).