4-amino-6-(1-methoxy-2-methylpropan-2-yl)-3-sulfanylidene-2H-1,2,4-triazin-5-one

C8H14N4O2S — CID 13137135

IUPAC4-amino-6-(1-methoxy-2-methylpropan-2-yl)-3-sulfanylidene-2H-1,2,4-triazin-5-one
SMILESCOCC(C)(C)c1n[nH]c(=S)n(N)c1=O
InChIInChI=1S/C8H14N4O2S/c1-8(2,4-14-3)5-6(13)12(9)7(15)11-10-5/h4,9H2,1-3H3,(H,11,15)
InChIKeyGYQRAERFAZRASR-UHFFFAOYSA-N
MW230.29 g/mol
LogP-0.06
Rot. Bonds3

About 4-amino-6-(1-methoxy-2-methylpropan-2-yl)-3-sulfanylidene-2H-1,2,4-triazin-5-one

4-amino-6-(1-methoxy-2-methylpropan-2-yl)-3-sulfanylidene-2H-1,2,4-triazin-5-one (PubChem CID 13137135) has the molecular formula C8H14N4O2S and a molecular weight of 230.29 g/mol. Its IUPAC name is 4-amino-6-(1-methoxy-2-methylpropan-2-yl)-3-sulfanylidene-2H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name4-amino-6-(1-methoxy-2-methylpropan-2-yl)-3-sulfanylidene-2H-1,2,4-triazin-5-one
PubChem CID13137135
Molecular FormulaC8H14N4O2S
Molecular Weight230.29 g/mol
Exact Mass230.08
IUPAC Name4-amino-6-(1-methoxy-2-methylpropan-2-yl)-3-sulfanylidene-2H-1,2,4-triazin-5-one
SMILESCOCC(C)(C)c1n[nH]c(=S)n(N)c1=O
InChIInChI=1S/C8H14N4O2S/c1-8(2,4-14-3)5-6(13)12(9)7(15)11-10-5/h4,9H2,1-3H3,(H,11,15)
InChIKeyGYQRAERFAZRASR-UHFFFAOYSA-N
XLogP-0.06
TPSA85.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.29
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-(1-methoxy-2-methylpropan-2-yl)-3-sulfanylidene-2H-1,2,4-triazin-5-one?
The IUPAC name of 4-amino-6-(1-methoxy-2-methylpropan-2-yl)-3-sulfanylidene-2H-1,2,4-triazin-5-one (CID 13137135) is 4-amino-6-(1-methoxy-2-methylpropan-2-yl)-3-sulfanylidene-2H-1,2,4-triazin-5-one.
What is the SMILES notation for 4-amino-6-(1-methoxy-2-methylpropan-2-yl)-3-sulfanylidene-2H-1,2,4-triazin-5-one?
The canonical SMILES for 4-amino-6-(1-methoxy-2-methylpropan-2-yl)-3-sulfanylidene-2H-1,2,4-triazin-5-one is COCC(C)(C)c1n[nH]c(=S)n(N)c1=O.
What is the InChIKey of 4-amino-6-(1-methoxy-2-methylpropan-2-yl)-3-sulfanylidene-2H-1,2,4-triazin-5-one?
The InChIKey is GYQRAERFAZRASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4O2S/c1-8(2,4-14-3)5-6(13)12(9)7(15)11-10-5/h4,9H2,1-3H3,(H,11,15).
What are the key properties of 4-amino-6-(1-methoxy-2-methylpropan-2-yl)-3-sulfanylidene-2H-1,2,4-triazin-5-one?
4-amino-6-(1-methoxy-2-methylpropan-2-yl)-3-sulfanylidene-2H-1,2,4-triazin-5-one has a molecular weight of 230.29 g/mol, XLogP of -0.06, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-(1-methoxy-2-methylpropan-2-yl)-3-sulfanylidene-2H-1,2,4-triazin-5-one is sourced from PubChem (CID 13137135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).