5-(1H-pyrazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione

C5H5N5S — CID 54594263

IUPAC5-(1H-pyrazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione
SMILESS=c1nc(-c2ccn[nH]2)[nH][nH]1
InChIInChI=1S/C5H5N5S/c11-5-7-4(9-10-5)3-1-2-6-8-3/h1-2H,(H,6,8)(H2,7,9,10,11)
InChIKeyCUWURAFRGZTODK-UHFFFAOYSA-N
MW167.20 g/mol
LogP0.86
Rot. Bonds1

About 5-(1H-pyrazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione

5-(1H-pyrazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione (PubChem CID 54594263) has the molecular formula C5H5N5S and a molecular weight of 167.20 g/mol. Its IUPAC name is 5-(1H-pyrazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione.

Molecular Properties

Compound Name5-(1H-pyrazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione
PubChem CID54594263
Molecular FormulaC5H5N5S
Molecular Weight167.20 g/mol
Exact Mass167.03
IUPAC Name5-(1H-pyrazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione
SMILESS=c1nc(-c2ccn[nH]2)[nH][nH]1
InChIInChI=1S/C5H5N5S/c11-5-7-4(9-10-5)3-1-2-6-8-3/h1-2H,(H,6,8)(H2,7,9,10,11)
InChIKeyCUWURAFRGZTODK-UHFFFAOYSA-N
XLogP0.86
TPSA73.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.20
LogP ≤ 50.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1H-Pyrazole-5-carbothioamide
CID 18669479
1H-pyrazole-3-carboximidamide hydrochloride
CID 135741955
1h-Pyrazole-3-carboximidamide
CID 135741956
N,N'-diamino-1H-pyrazole-5-carboximidamide
CID 136657484
4-amino-5-(1H-pyrazol-5-yl)-4H-1,2,4-triazole-3-thiol
CID 16394823
4-(propan-2-ylideneamino)-3-(1H-pyrazol-5-yl)-1H-1,2,4-triazole-5-thione
CID 54226480
1H-pyrazole-5-carbothiohydrazide
CID 54470099
2-(1H-pyrazol-5-yl)-4,5-dihydroimidazol-1-amine
CID 70599154
1H-pyrazole-5-carbothioamide;hydrochloride
CID 87861220
1H-pyrazol-5-ylmethyldiazene
CID 91296493
N'-hydroxy-1H-pyrazole-5-carboximidamide
CID 135813755
N'-methyl-1H-pyrazole-5-carboximidamide
CID 135847649

Frequently Asked Questions

What is the IUPAC name of 5-(1H-pyrazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione?
The IUPAC name of 5-(1H-pyrazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione (CID 54594263) is 5-(1H-pyrazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione.
What is the SMILES notation for 5-(1H-pyrazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione?
The canonical SMILES for 5-(1H-pyrazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione is S=c1nc(-c2ccn[nH]2)[nH][nH]1.
What is the InChIKey of 5-(1H-pyrazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione?
The InChIKey is CUWURAFRGZTODK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N5S/c11-5-7-4(9-10-5)3-1-2-6-8-3/h1-2H,(H,6,8)(H2,7,9,10,11).
What are the key properties of 5-(1H-pyrazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione?
5-(1H-pyrazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione has a molecular weight of 167.20 g/mol, XLogP of 0.86, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-pyrazol-5-yl)-1,2-dihydro-1,2,4-triazole-3-thione is sourced from PubChem (CID 54594263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).