4-amino-6-propan-2-yl-3-sulfanylidene-2H-1,2,4-triazin-5-one

C6H10N4OS — CID 13424983

IUPAC4-amino-6-propan-2-yl-3-sulfanylidene-2H-1,2,4-triazin-5-one
SMILESCC(C)c1n[nH]c(=S)n(N)c1=O
InChIInChI=1S/C6H10N4OS/c1-3(2)4-5(11)10(7)6(12)9-8-4/h3H,7H2,1-2H3,(H,9,12)
InChIKeyRUAGPJRXJZETOF-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.14
Rot. Bonds1

About 4-amino-6-propan-2-yl-3-sulfanylidene-2H-1,2,4-triazin-5-one

4-amino-6-propan-2-yl-3-sulfanylidene-2H-1,2,4-triazin-5-one (PubChem CID 13424983) has the molecular formula C6H10N4OS and a molecular weight of 186.24 g/mol. Its IUPAC name is 4-amino-6-propan-2-yl-3-sulfanylidene-2H-1,2,4-triazin-5-one.

Molecular Properties

Compound Name4-amino-6-propan-2-yl-3-sulfanylidene-2H-1,2,4-triazin-5-one
PubChem CID13424983
Molecular FormulaC6H10N4OS
Molecular Weight186.24 g/mol
Exact Mass186.06
IUPAC Name4-amino-6-propan-2-yl-3-sulfanylidene-2H-1,2,4-triazin-5-one
SMILESCC(C)c1n[nH]c(=S)n(N)c1=O
InChIInChI=1S/C6H10N4OS/c1-3(2)4-5(11)10(7)6(12)9-8-4/h3H,7H2,1-2H3,(H,9,12)
InChIKeyRUAGPJRXJZETOF-UHFFFAOYSA-N
XLogP0.14
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-Amino-6-(tert-butyl)-4H-1,2,4-triazine-3-thione-5-one
CID 676486
4-Amino-6-methyl-3-sulfanyl-4,5-dihydro-1,2,4-triazin-5-one
CID 1284234
6-tert-Butyl-3-sulfanylidene-3,4-dihydro-1,2,4-triazin-5(2H)-one
CID 13169721
4-amino-6-ethyl-3-thioxo-2H-1,2,4-triazin-5-one
CID 21422676
4-amino-6-(1-fluoro-2-methylpropan-2-yl)-3-sulfanylidene-2H-1,2,4-triazin-5-one
CID 13217088
4-(fluoroamino)-6-propan-2-yl-3-sulfanylidene-2H-1,2,4-triazin-5-one
CID 20488922
N-(6-methyl-5-oxo-3-sulfanyl-1,2,4-triazin-4(5H)-yl)acetamide
CID 1234931
3-Methyl-5-oxo-4,5-dihydro-1h-pyrazole-1-carbothiohydrazide
CID 172011475
4-amino-6-propan-2-yl-2H-1,2,4-triazine-3,5-dione
CID 12566096
6-isopropyl-3-mercapto-4-methyl-1,2,4-triazin-5(4H)-one
CID 13124849
4-amino-6-cyclobutyl-3-sulfanylidene-2H-1,2,4-triazin-5-one
CID 13392743
4-amino-6-sec.-butyl-3-thioxo-1,2,4-triazin-5(2H,4H)-one
CID 13424984

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-propan-2-yl-3-sulfanylidene-2H-1,2,4-triazin-5-one?
The IUPAC name of 4-amino-6-propan-2-yl-3-sulfanylidene-2H-1,2,4-triazin-5-one (CID 13424983) is 4-amino-6-propan-2-yl-3-sulfanylidene-2H-1,2,4-triazin-5-one.
What is the SMILES notation for 4-amino-6-propan-2-yl-3-sulfanylidene-2H-1,2,4-triazin-5-one?
The canonical SMILES for 4-amino-6-propan-2-yl-3-sulfanylidene-2H-1,2,4-triazin-5-one is CC(C)c1n[nH]c(=S)n(N)c1=O.
What is the InChIKey of 4-amino-6-propan-2-yl-3-sulfanylidene-2H-1,2,4-triazin-5-one?
The InChIKey is RUAGPJRXJZETOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4OS/c1-3(2)4-5(11)10(7)6(12)9-8-4/h3H,7H2,1-2H3,(H,9,12).
What are the key properties of 4-amino-6-propan-2-yl-3-sulfanylidene-2H-1,2,4-triazin-5-one?
4-amino-6-propan-2-yl-3-sulfanylidene-2H-1,2,4-triazin-5-one has a molecular weight of 186.24 g/mol, XLogP of 0.14, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-propan-2-yl-3-sulfanylidene-2H-1,2,4-triazin-5-one is sourced from PubChem (CID 13424983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).