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

C7H7N5S — CID 719823

IUPAC4-amino-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
SMILESNn1c(-c2ccncc2)n[nH]c1=S
InChIInChI=1S/C7H7N5S/c8-12-6(10-11-7(12)13)5-1-3-9-4-2-5/h1-4H,8H2,(H,11,13)
InChIKeyLHSIJUVRXSETDR-UHFFFAOYSA-N
MW193.24 g/mol
LogP0.72
Rot. Bonds1

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

4-amino-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione (PubChem CID 719823) has the molecular formula C7H7N5S and a molecular weight of 193.24 g/mol. Its IUPAC name is 4-amino-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione.

Molecular Properties

Compound Name4-amino-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
PubChem CID719823
Molecular FormulaC7H7N5S
Molecular Weight193.24 g/mol
Exact Mass193.04
IUPAC Name4-amino-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
SMILESNn1c(-c2ccncc2)n[nH]c1=S
InChIInChI=1S/C7H7N5S/c8-12-6(10-11-7(12)13)5-1-3-9-4-2-5/h1-4H,8H2,(H,11,13)
InChIKeyLHSIJUVRXSETDR-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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Related Compounds

Nicothiazone
CID 6474573
4-Acetylpyridine thiosemicarbazone
CID 9561388
Hydrazinecarbothioamide, 2-(1-(3-pyridinyl)ethylidene)-, (E)-
CID 5743115
4-Formylpyridine thiosemicarbazone
CID 6433252
4-methyl-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
CID 738547
5-(Pyridin-4-yl)-1,3,4-thiadiazole-2-thiol
CID 5300214
4-(Propan-2-yl)-5-(pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
CID 971075
5-(pyridin-4-yl)-4H-1,2,4-triazol-3-amine
CID 199040
4-methyl-5-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
CID 757582
1H-1,2,4-Triazole-3-thiol, 5-(4-pyridyl)-
CID 920433
N1-Isopropyl-2-(3-pyridylmethylidene)hydrazine-1-carbothioamide
CID 9566106
2-pyridin-3-yl-3H-[1,2,4]triazolo[1,5-c]quinazoline-5-thione
CID 1970388

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione?
The IUPAC name of 4-amino-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione (CID 719823) is 4-amino-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione.
What is the SMILES notation for 4-amino-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione?
The canonical SMILES for 4-amino-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione is Nn1c(-c2ccncc2)n[nH]c1=S.
What is the InChIKey of 4-amino-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione?
The InChIKey is LHSIJUVRXSETDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N5S/c8-12-6(10-11-7(12)13)5-1-3-9-4-2-5/h1-4H,8H2,(H,11,13).
What are the key properties of 4-amino-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione?
4-amino-3-pyridin-4-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-4-yl-1H-1,2,4-triazole-5-thione is sourced from PubChem (CID 719823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).