2-(1H-1,2,4-triazol-5-ylsulfanyl)-N'-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]acetohydrazide

C8H10N8O2S2 — CID 4293229

IUPAC2-(1H-1,2,4-triazol-5-ylsulfanyl)-N'-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]acetohydrazide
SMILESO=C(CSc1ncn[nH]1)NNC(=O)CSc1ncn[nH]1
InChIInChI=1S/C8H10N8O2S2/c17-5(1-19-7-9-3-11-15-7)13-14-6(18)2-20-8-10-4-12-16-8/h3-4H,1-2H2,(H,13,17)(H,14,18)(H,9,11,15)(H,10,12,16)
InChIKeyBOAUYOYDFXZFOL-UHFFFAOYSA-N
MW314.36 g/mol
LogP-1.05
Rot. Bonds6

About 2-(1H-1,2,4-triazol-5-ylsulfanyl)-N'-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]acetohydrazide

2-(1H-1,2,4-triazol-5-ylsulfanyl)-N'-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]acetohydrazide (PubChem CID 4293229) has the molecular formula C8H10N8O2S2 and a molecular weight of 314.36 g/mol. Its IUPAC name is 2-(1H-1,2,4-triazol-5-ylsulfanyl)-N'-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]acetohydrazide.

Molecular Properties

Compound Name2-(1H-1,2,4-triazol-5-ylsulfanyl)-N'-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]acetohydrazide
PubChem CID4293229
Molecular FormulaC8H10N8O2S2
Molecular Weight314.36 g/mol
Exact Mass314.04
IUPAC Name2-(1H-1,2,4-triazol-5-ylsulfanyl)-N'-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]acetohydrazide
SMILESO=C(CSc1ncn[nH]1)NNC(=O)CSc1ncn[nH]1
InChIInChI=1S/C8H10N8O2S2/c17-5(1-19-7-9-3-11-15-7)13-14-6(18)2-20-8-10-4-12-16-8/h3-4H,1-2H2,(H,13,17)(H,14,18)(H,9,11,15)(H,10,12,16)
InChIKeyBOAUYOYDFXZFOL-UHFFFAOYSA-N
XLogP-1.05
TPSA141.34 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 5-1.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-(1H-1,2,4-triazol-5-ylsulfanyl)-N'-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]acetohydrazide 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 2-(1H-1,2,4-triazol-5-ylsulfanyl)-N'-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]acetohydrazide?
The IUPAC name of 2-(1H-1,2,4-triazol-5-ylsulfanyl)-N'-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]acetohydrazide (CID 4293229) is 2-(1H-1,2,4-triazol-5-ylsulfanyl)-N'-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]acetohydrazide.
What is the SMILES notation for 2-(1H-1,2,4-triazol-5-ylsulfanyl)-N'-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]acetohydrazide?
The canonical SMILES for 2-(1H-1,2,4-triazol-5-ylsulfanyl)-N'-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]acetohydrazide is O=C(CSc1ncn[nH]1)NNC(=O)CSc1ncn[nH]1.
What is the InChIKey of 2-(1H-1,2,4-triazol-5-ylsulfanyl)-N'-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]acetohydrazide?
The InChIKey is BOAUYOYDFXZFOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N8O2S2/c17-5(1-19-7-9-3-11-15-7)13-14-6(18)2-20-8-10-4-12-16-8/h3-4H,1-2H2,(H,13,17)(H,14,18)(H,9,11,15)(H,10,12,16).
What are the key properties of 2-(1H-1,2,4-triazol-5-ylsulfanyl)-N'-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]acetohydrazide?
2-(1H-1,2,4-triazol-5-ylsulfanyl)-N'-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]acetohydrazide has a molecular weight of 314.36 g/mol, XLogP of -1.05, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-1,2,4-triazol-5-ylsulfanyl)-N'-[2-(1H-1,2,4-triazol-5-ylsulfanyl)acetyl]acetohydrazide is sourced from PubChem (CID 4293229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).