4-amino-6-methyl-3-methylsulfanyl-2,3-dihydro-1,2,4-triazin-5-one

C5H10N4OS — CID 20788177

IUPAC4-amino-6-methyl-3-methylsulfanyl-2,3-dihydro-1,2,4-triazin-5-one
SMILESCSC1NN=C(C)C(=O)N1N
InChIInChI=1S/C5H10N4OS/c1-3-4(10)9(6)5(11-2)8-7-3/h5,8H,6H2,1-2H3
InChIKeyKOOZGMUCCGUWLZ-UHFFFAOYSA-N
MW174.23 g/mol
LogP-0.69
Rot. Bonds1

About 4-amino-6-methyl-3-methylsulfanyl-2,3-dihydro-1,2,4-triazin-5-one

4-amino-6-methyl-3-methylsulfanyl-2,3-dihydro-1,2,4-triazin-5-one (PubChem CID 20788177) has the molecular formula C5H10N4OS and a molecular weight of 174.23 g/mol. Its IUPAC name is 4-amino-6-methyl-3-methylsulfanyl-2,3-dihydro-1,2,4-triazin-5-one.

Molecular Properties

Compound Name4-amino-6-methyl-3-methylsulfanyl-2,3-dihydro-1,2,4-triazin-5-one
PubChem CID20788177
Molecular FormulaC5H10N4OS
Molecular Weight174.23 g/mol
Exact Mass174.06
IUPAC Name4-amino-6-methyl-3-methylsulfanyl-2,3-dihydro-1,2,4-triazin-5-one
SMILESCSC1NN=C(C)C(=O)N1N
InChIInChI=1S/C5H10N4OS/c1-3-4(10)9(6)5(11-2)8-7-3/h5,8H,6H2,1-2H3
InChIKeyKOOZGMUCCGUWLZ-UHFFFAOYSA-N
XLogP-0.69
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.23
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-6-methyl-3-methylsulfanyl-2,3-dihydro-1,2,4-triazin-5-one?
The IUPAC name of 4-amino-6-methyl-3-methylsulfanyl-2,3-dihydro-1,2,4-triazin-5-one (CID 20788177) is 4-amino-6-methyl-3-methylsulfanyl-2,3-dihydro-1,2,4-triazin-5-one.
What is the SMILES notation for 4-amino-6-methyl-3-methylsulfanyl-2,3-dihydro-1,2,4-triazin-5-one?
The canonical SMILES for 4-amino-6-methyl-3-methylsulfanyl-2,3-dihydro-1,2,4-triazin-5-one is CSC1NN=C(C)C(=O)N1N.
What is the InChIKey of 4-amino-6-methyl-3-methylsulfanyl-2,3-dihydro-1,2,4-triazin-5-one?
The InChIKey is KOOZGMUCCGUWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N4OS/c1-3-4(10)9(6)5(11-2)8-7-3/h5,8H,6H2,1-2H3.
What are the key properties of 4-amino-6-methyl-3-methylsulfanyl-2,3-dihydro-1,2,4-triazin-5-one?
4-amino-6-methyl-3-methylsulfanyl-2,3-dihydro-1,2,4-triazin-5-one has a molecular weight of 174.23 g/mol, XLogP of -0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-methyl-3-methylsulfanyl-2,3-dihydro-1,2,4-triazin-5-one is sourced from PubChem (CID 20788177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).