2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide

C5H9N5OS — CID 104604202

IUPAC2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
SMILESCn1ncnc1SCC(=O)NN
InChIInChI=1S/C5H9N5OS/c1-10-5(7-3-8-10)12-2-4(11)9-6/h3H,2,6H2,1H3,(H,9,11)
InChIKeyLOYZDJZTAFBUAQ-UHFFFAOYSA-N
MW187.23 g/mol
LogP-1.10
Rot. Bonds3

About 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide

2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide (PubChem CID 104604202) has the molecular formula C5H9N5OS and a molecular weight of 187.23 g/mol. Its IUPAC name is 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide.

Molecular Properties

Compound Name2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
PubChem CID104604202
Molecular FormulaC5H9N5OS
Molecular Weight187.23 g/mol
Exact Mass187.05
IUPAC Name2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
SMILESCn1ncnc1SCC(=O)NN
InChIInChI=1S/C5H9N5OS/c1-10-5(7-3-8-10)12-2-4(11)9-6/h3H,2,6H2,1H3,(H,9,11)
InChIKeyLOYZDJZTAFBUAQ-UHFFFAOYSA-N
XLogP-1.10
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.23
LogP ≤ 5-1.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide with MolForge

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

Launch Full Analysis

Related Compounds

2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-prop-2-enylacetamide
CID 86790312
N-(2-amino-4-methylphenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 104602942
N-(5-amino-2-fluorophenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 104602938
N-(2,3-dimethylphenyl)-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 86790583
2-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-3-carbohydrazide
CID 114199375
6-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]pyridine-2-carbohydrazide
CID 106909736
2-(1-methylimidazol-2-yl)sulfanylacetohydrazide
CID 63580041
1-cyclopropyl-2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone
CID 104599488
2-methyl-5-[(2-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]furan-3-carbohydrazide
CID 104604223
methyl 2,2-dimethyl-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoate
CID 104602571
methyl 2-acetamido-3-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]propanoate
CID 104602579
methyl 2-(methylamino)-4-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]butanoate
CID 104603816

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide?
The IUPAC name of 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide (CID 104604202) is 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide.
What is the SMILES notation for 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide?
The canonical SMILES for 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide is Cn1ncnc1SCC(=O)NN.
What is the InChIKey of 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide?
The InChIKey is LOYZDJZTAFBUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N5OS/c1-10-5(7-3-8-10)12-2-4(11)9-6/h3H,2,6H2,1H3,(H,9,11).
What are the key properties of 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide?
2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide has a molecular weight of 187.23 g/mol, XLogP of -1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide is sourced from PubChem (CID 104604202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).