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

C10H12N6O2S — CID 155556746

IUPAC3-(2-methoxyethoxy)-5-(3-methylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine
SMILESCOCCOc1nncc(-c2cnnc(SC)n2)n1
InChIInChI=1S/C10H12N6O2S/c1-17-3-4-18-9-13-7(5-11-15-9)8-6-12-16-10(14-8)19-2/h5-6H,3-4H2,1-2H3
InChIKeyQCRSIDPDPNQKJA-UHFFFAOYSA-N
MW280.31 g/mol
LogP0.47
Rot. Bonds6

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

3-(2-methoxyethoxy)-5-(3-methylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine (PubChem CID 155556746) has the molecular formula C10H12N6O2S and a molecular weight of 280.31 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)-5-(3-methylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine.

Molecular Properties

Compound Name3-(2-methoxyethoxy)-5-(3-methylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine
PubChem CID155556746
Molecular FormulaC10H12N6O2S
Molecular Weight280.31 g/mol
Exact Mass280.07
IUPAC Name3-(2-methoxyethoxy)-5-(3-methylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine
SMILESCOCCOc1nncc(-c2cnnc(SC)n2)n1
InChIInChI=1S/C10H12N6O2S/c1-17-3-4-18-9-13-7(5-11-15-9)8-6-12-16-10(14-8)19-2/h5-6H,3-4H2,1-2H3
InChIKeyQCRSIDPDPNQKJA-UHFFFAOYSA-N
XLogP0.47
TPSA95.80 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

3-(2-methoxyethoxy)-5-[3-(2-methoxyethoxy)-1,2,4-triazin-5-yl]-1,2,4-triazine
CID 164620136
3-(2-methoxyethylsulfanyl)-5-(3-methylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine
CID 155565039
N,N-dimethyl-2-[[5-(3-propoxy-1,2,4-triazin-5-yl)-1,2,4-triazin-3-yl]sulfanyl]ethanamine
CID 164620224
3-methylsulfanyl-5-(3-prop-2-ynylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine
CID 164626362
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
2-(2-methoxyethoxy)-1,3,5-triazine
CID 154184593
5-methyl-3-methylsulfanyl-1,2,4-triazine
CID 12503454
2-[2-(2-methoxyethoxy)ethoxy]pyrimidin-4-amine
CID 116798022
2-(2-methoxyethoxy)-5-methylsulfanylpyrazine
CID 137474680
5-tert-butyl-2-(2-methoxyethoxy)pyrimidine
CID 170179546
4-methoxy-2-(2-methoxyethoxy)-5-methylpyrimidine
CID 176600654

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)-5-(3-methylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine?
The IUPAC name of 3-(2-methoxyethoxy)-5-(3-methylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine (CID 155556746) is 3-(2-methoxyethoxy)-5-(3-methylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine.
What is the SMILES notation for 3-(2-methoxyethoxy)-5-(3-methylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine?
The canonical SMILES for 3-(2-methoxyethoxy)-5-(3-methylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine is COCCOc1nncc(-c2cnnc(SC)n2)n1.
What is the InChIKey of 3-(2-methoxyethoxy)-5-(3-methylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine?
The InChIKey is QCRSIDPDPNQKJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N6O2S/c1-17-3-4-18-9-13-7(5-11-15-9)8-6-12-16-10(14-8)19-2/h5-6H,3-4H2,1-2H3.
What are the key properties of 3-(2-methoxyethoxy)-5-(3-methylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine?
3-(2-methoxyethoxy)-5-(3-methylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine has a molecular weight of 280.31 g/mol, XLogP of 0.47, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)-5-(3-methylsulfanyl-1,2,4-triazin-5-yl)-1,2,4-triazine is sourced from PubChem (CID 155556746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).