6-(2-methylsulfanylethylamino)-2H-1,2,4-triazine-3,5-dione

C6H10N4O2S — CID 60753914

IUPAC6-(2-methylsulfanylethylamino)-2H-1,2,4-triazine-3,5-dione
SMILESCSCCNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H10N4O2S/c1-13-3-2-7-4-5(11)8-6(12)10-9-4/h2-3H2,1H3,(H,7,9)(H2,8,10,11,12)
InChIKeyADXFBPAKPWGTJA-UHFFFAOYSA-N
MW202.24 g/mol
LogP-0.77
Rot. Bonds4

About 6-(2-methylsulfanylethylamino)-2H-1,2,4-triazine-3,5-dione

6-(2-methylsulfanylethylamino)-2H-1,2,4-triazine-3,5-dione (PubChem CID 60753914) has the molecular formula C6H10N4O2S and a molecular weight of 202.24 g/mol. Its IUPAC name is 6-(2-methylsulfanylethylamino)-2H-1,2,4-triazine-3,5-dione.

Molecular Properties

Compound Name6-(2-methylsulfanylethylamino)-2H-1,2,4-triazine-3,5-dione
PubChem CID60753914
Molecular FormulaC6H10N4O2S
Molecular Weight202.24 g/mol
Exact Mass202.05
IUPAC Name6-(2-methylsulfanylethylamino)-2H-1,2,4-triazine-3,5-dione
SMILESCSCCNc1n[nH]c(=O)[nH]c1=O
InChIInChI=1S/C6H10N4O2S/c1-13-3-2-7-4-5(11)8-6(12)10-9-4/h2-3H2,1H3,(H,7,9)(H2,8,10,11,12)
InChIKeyADXFBPAKPWGTJA-UHFFFAOYSA-N
XLogP-0.77
TPSA90.64 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.24
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-((3,5-Dioxo-2,3,4,5-tetrahydro-1,2,4-triazin-6-yl)amino)acetamide
CID 1269462
N-(6-aza-5-uracilyl)-ethylenediamine
CID 60965764
6-[methyl-[2-(methylamino)ethyl]amino]-2H-1,2,4-triazine-3,5-dione
CID 64083020
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-methylacetamide
CID 43410658
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]-N-ethylacetamide
CID 43410662
N-[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethyl]acetamide
CID 43410668
6-(propylamino)-2H-1,2,4-triazine-3,5-dione
CID 43410690
6-(ethylamino)-2H-1,2,4-triazine-3,5-dione
CID 43410700
6-[2-(dimethylamino)ethylamino]-2H-1,2,4-triazine-3,5-dione
CID 43410701
N-[2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethyl]methanesulfonamide
CID 43431820
2-[(3,5-dioxo-2H-1,2,4-triazin-6-yl)amino]ethanesulfonamide
CID 43646871
2,4-Dimethyl-6-(2-methylsulfanylethylamino)-1,2,4-triazine-3,5-dione
CID 60658919

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylsulfanylethylamino)-2H-1,2,4-triazine-3,5-dione?
The IUPAC name of 6-(2-methylsulfanylethylamino)-2H-1,2,4-triazine-3,5-dione (CID 60753914) is 6-(2-methylsulfanylethylamino)-2H-1,2,4-triazine-3,5-dione.
What is the SMILES notation for 6-(2-methylsulfanylethylamino)-2H-1,2,4-triazine-3,5-dione?
The canonical SMILES for 6-(2-methylsulfanylethylamino)-2H-1,2,4-triazine-3,5-dione is CSCCNc1n[nH]c(=O)[nH]c1=O.
What is the InChIKey of 6-(2-methylsulfanylethylamino)-2H-1,2,4-triazine-3,5-dione?
The InChIKey is ADXFBPAKPWGTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4O2S/c1-13-3-2-7-4-5(11)8-6(12)10-9-4/h2-3H2,1H3,(H,7,9)(H2,8,10,11,12).
What are the key properties of 6-(2-methylsulfanylethylamino)-2H-1,2,4-triazine-3,5-dione?
6-(2-methylsulfanylethylamino)-2H-1,2,4-triazine-3,5-dione has a molecular weight of 202.24 g/mol, XLogP of -0.77, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylsulfanylethylamino)-2H-1,2,4-triazine-3,5-dione is sourced from PubChem (CID 60753914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).