4-amino-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione

C7H7N5S — CID 12885514

IUPAC4-amino-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione
SMILESNn1c(-c2ccccn2)n[nH]c1=S
InChIInChI=1S/C7H7N5S/c8-12-6(10-11-7(12)13)5-3-1-2-4-9-5/h1-4H,8H2,(H,11,13)
InChIKeyQBQOSTNDZHXSKB-UHFFFAOYSA-N
MW193.24 g/mol
LogP0.72
Rot. Bonds1

About 4-amino-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione

4-amino-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione (PubChem CID 12885514) has the molecular formula C7H7N5S and a molecular weight of 193.24 g/mol. Its IUPAC name is 4-amino-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione.

Molecular Properties

Compound Name4-amino-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione
PubChem CID12885514
Molecular FormulaC7H7N5S
Molecular Weight193.24 g/mol
Exact Mass193.04
IUPAC Name4-amino-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione
SMILESNn1c(-c2ccccn2)n[nH]c1=S
InChIInChI=1S/C7H7N5S/c8-12-6(10-11-7(12)13)5-3-1-2-4-9-5/h1-4H,8H2,(H,11,13)
InChIKeyQBQOSTNDZHXSKB-UHFFFAOYSA-N
XLogP0.72
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.24
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-pyridin-2-yl-1H-1,2,4-triazole-5-thione?
The IUPAC name of 4-amino-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione (CID 12885514) is 4-amino-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione.
What is the SMILES notation for 4-amino-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione?
The canonical SMILES for 4-amino-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione is Nn1c(-c2ccccn2)n[nH]c1=S.
What is the InChIKey of 4-amino-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione?
The InChIKey is QBQOSTNDZHXSKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5S/c8-12-6(10-11-7(12)13)5-3-1-2-4-9-5/h1-4H,8H2,(H,11,13).
What are the key properties of 4-amino-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione?
4-amino-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione has a molecular weight of 193.24 g/mol, XLogP of 0.72, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione is sourced from PubChem (CID 12885514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).