4-amino-3-(thiadiazol-4-yl)-1H-1,2,4-triazole-5-thione

C4H4N6S2 — CID 65216106

IUPAC4-amino-3-(thiadiazol-4-yl)-1H-1,2,4-triazole-5-thione
SMILESNn1c(-c2csnn2)n[nH]c1=S
InChIInChI=1S/C4H4N6S2/c5-10-3(7-8-4(10)11)2-1-12-9-6-2/h1H,5H2,(H,8,11)
InChIKeyRZPHOSGLVFARDE-UHFFFAOYSA-N
MW200.25 g/mol
LogP0.17
Rot. Bonds1

About 4-amino-3-(thiadiazol-4-yl)-1H-1,2,4-triazole-5-thione

4-amino-3-(thiadiazol-4-yl)-1H-1,2,4-triazole-5-thione (PubChem CID 65216106) has the molecular formula C4H4N6S2 and a molecular weight of 200.25 g/mol. Its IUPAC name is 4-amino-3-(thiadiazol-4-yl)-1H-1,2,4-triazole-5-thione.

Molecular Properties

Compound Name4-amino-3-(thiadiazol-4-yl)-1H-1,2,4-triazole-5-thione
PubChem CID65216106
Molecular FormulaC4H4N6S2
Molecular Weight200.25 g/mol
Exact Mass199.99
IUPAC Name4-amino-3-(thiadiazol-4-yl)-1H-1,2,4-triazole-5-thione
SMILESNn1c(-c2csnn2)n[nH]c1=S
InChIInChI=1S/C4H4N6S2/c5-10-3(7-8-4(10)11)2-1-12-9-6-2/h1H,5H2,(H,8,11)
InChIKeyRZPHOSGLVFARDE-UHFFFAOYSA-N
XLogP0.17
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.25
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-(thiadiazol-4-yl)-1H-1,2,4-triazole-5-thione?
The IUPAC name of 4-amino-3-(thiadiazol-4-yl)-1H-1,2,4-triazole-5-thione (CID 65216106) is 4-amino-3-(thiadiazol-4-yl)-1H-1,2,4-triazole-5-thione.
What is the SMILES notation for 4-amino-3-(thiadiazol-4-yl)-1H-1,2,4-triazole-5-thione?
The canonical SMILES for 4-amino-3-(thiadiazol-4-yl)-1H-1,2,4-triazole-5-thione is Nn1c(-c2csnn2)n[nH]c1=S.
What is the InChIKey of 4-amino-3-(thiadiazol-4-yl)-1H-1,2,4-triazole-5-thione?
The InChIKey is RZPHOSGLVFARDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N6S2/c5-10-3(7-8-4(10)11)2-1-12-9-6-2/h1H,5H2,(H,8,11).
What are the key properties of 4-amino-3-(thiadiazol-4-yl)-1H-1,2,4-triazole-5-thione?
4-amino-3-(thiadiazol-4-yl)-1H-1,2,4-triazole-5-thione has a molecular weight of 200.25 g/mol, XLogP of 0.17, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-(thiadiazol-4-yl)-1H-1,2,4-triazole-5-thione is sourced from PubChem (CID 65216106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).