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

C5H10N4OS — CID 27235037

IUPAC(3S)-4-amino-6-methyl-3-methylsulfanyl-2,3-dihydro-1,2,4-triazin-5-one
SMILESCS[C@H]1NN=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/t5-/m0/s1
InChIKeyKOOZGMUCCGUWLZ-YFKPBYRVSA-N
MW174.23 g/mol
LogP-0.69
Rot. Bonds1

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

(3S)-4-amino-6-methyl-3-methylsulfanyl-2,3-dihydro-1,2,4-triazin-5-one (PubChem CID 27235037) has the molecular formula C5H10N4OS and a molecular weight of 174.23 g/mol. Its IUPAC name is (3S)-4-amino-6-methyl-3-methylsulfanyl-2,3-dihydro-1,2,4-triazin-5-one.

Molecular Properties

Compound Name(3S)-4-amino-6-methyl-3-methylsulfanyl-2,3-dihydro-1,2,4-triazin-5-one
PubChem CID27235037
Molecular FormulaC5H10N4OS
Molecular Weight174.23 g/mol
Exact Mass174.06
IUPAC Name(3S)-4-amino-6-methyl-3-methylsulfanyl-2,3-dihydro-1,2,4-triazin-5-one
SMILESCS[C@H]1NN=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/t5-/m0/s1
InChIKeyKOOZGMUCCGUWLZ-YFKPBYRVSA-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'}

Analyze (3S)-4-amino-6-methyl-3-methylsulfanyl-2,3-dihydro-1,2,4-triazin-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-4-amino-6-methyl-3-methylsulfanyl-2,3-dihydro-1,2,4-triazin-5-one?
The IUPAC name of (3S)-4-amino-6-methyl-3-methylsulfanyl-2,3-dihydro-1,2,4-triazin-5-one (CID 27235037) is (3S)-4-amino-6-methyl-3-methylsulfanyl-2,3-dihydro-1,2,4-triazin-5-one.
What is the SMILES notation for (3S)-4-amino-6-methyl-3-methylsulfanyl-2,3-dihydro-1,2,4-triazin-5-one?
The canonical SMILES for (3S)-4-amino-6-methyl-3-methylsulfanyl-2,3-dihydro-1,2,4-triazin-5-one is CS[C@H]1NN=C(C)C(=O)N1N.
What is the InChIKey of (3S)-4-amino-6-methyl-3-methylsulfanyl-2,3-dihydro-1,2,4-triazin-5-one?
The InChIKey is KOOZGMUCCGUWLZ-YFKPBYRVSA-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/t5-/m0/s1.
What are the key properties of (3S)-4-amino-6-methyl-3-methylsulfanyl-2,3-dihydro-1,2,4-triazin-5-one?
(3S)-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 (3S)-4-amino-6-methyl-3-methylsulfanyl-2,3-dihydro-1,2,4-triazin-5-one is sourced from PubChem (CID 27235037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).