[4-ethoxy-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazin-2-yl]hydrazine

C8H15N5O3S2 — CID 80930656

IUPAC[4-ethoxy-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazin-2-yl]hydrazine
SMILESCCOc1nc(NN)nc(SCCS(C)(=O)=O)n1
InChIInChI=1S/C8H15N5O3S2/c1-3-16-7-10-6(13-9)11-8(12-7)17-4-5-18(2,14)15/h3-5,9H2,1-2H3,(H,10,11,12,13)
InChIKeyAKMUSMUWGMYMGQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP-0.31
Rot. Bonds7

About [4-ethoxy-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazin-2-yl]hydrazine

[4-ethoxy-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazin-2-yl]hydrazine (PubChem CID 80930656) has the molecular formula C8H15N5O3S2 and a molecular weight of 293.37 g/mol. Its IUPAC name is [4-ethoxy-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazin-2-yl]hydrazine.

Molecular Properties

Compound Name[4-ethoxy-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazin-2-yl]hydrazine
PubChem CID80930656
Molecular FormulaC8H15N5O3S2
Molecular Weight293.37 g/mol
Exact Mass293.06
IUPAC Name[4-ethoxy-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazin-2-yl]hydrazine
SMILESCCOc1nc(NN)nc(SCCS(C)(=O)=O)n1
InChIInChI=1S/C8H15N5O3S2/c1-3-16-7-10-6(13-9)11-8(12-7)17-4-5-18(2,14)15/h3-5,9H2,1-2H3,(H,10,11,12,13)
InChIKeyAKMUSMUWGMYMGQ-UHFFFAOYSA-N
XLogP-0.31
TPSA120.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 5-0.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze [4-ethoxy-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazin-2-yl]hydrazine 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

ethyl 2-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]acetate
CID 80923874
4-methoxy-N-methyl-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazin-2-amine
CID 80883434
3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]-2-methylpropan-1-ol
CID 80928778
(4-methoxy-6-propylsulfanyl-1,3,5-triazin-2-yl)hydrazine
CID 80924545
6-ethoxy-2-N-(2-methylsulfonylethyl)-1,3,5-triazine-2,4-diamine
CID 80791788
N-(2,2-dimethylpropyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80898695
6-ethoxy-2-N-(3-methylsulfonylpropyl)-1,3,5-triazine-2,4-diamine
CID 80812342
3-[(4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-yl)sulfanyl]-4-propan-2-yl-1H-1,2,4-triazol-5-one
CID 80928785
2-N,2-N-dimethyl-6-(2-methylsulfonylethylsulfanyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80882836
(4-ethoxy-6-prop-2-ynoxy-1,3,5-triazin-2-yl)hydrazine
CID 80913971
4-ethoxy-6-hydrazinyl-N-(3-methylbutan-2-yl)-1,3,5-triazin-2-amine
CID 80917208
(4-tert-butylsulfanyl-6-propoxy-1,3,5-triazin-2-yl)hydrazine
CID 80925478

Frequently Asked Questions

What is the IUPAC name of [4-ethoxy-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazin-2-yl]hydrazine?
The IUPAC name of [4-ethoxy-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazin-2-yl]hydrazine (CID 80930656) is [4-ethoxy-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazin-2-yl]hydrazine.
What is the SMILES notation for [4-ethoxy-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazin-2-yl]hydrazine?
The canonical SMILES for [4-ethoxy-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazin-2-yl]hydrazine is CCOc1nc(NN)nc(SCCS(C)(=O)=O)n1.
What is the InChIKey of [4-ethoxy-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazin-2-yl]hydrazine?
The InChIKey is AKMUSMUWGMYMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O3S2/c1-3-16-7-10-6(13-9)11-8(12-7)17-4-5-18(2,14)15/h3-5,9H2,1-2H3,(H,10,11,12,13).
What are the key properties of [4-ethoxy-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazin-2-yl]hydrazine?
[4-ethoxy-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazin-2-yl]hydrazine has a molecular weight of 293.37 g/mol, XLogP of -0.31, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethoxy-6-(2-methylsulfonylethylsulfanyl)-1,3,5-triazin-2-yl]hydrazine is sourced from PubChem (CID 80930656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).