1-(1-ethylpyrazol-3-yl)-2H-tetrazole-5-thione

C6H8N6S — CID 130495926

IUPAC1-(1-ethylpyrazol-3-yl)-2H-tetrazole-5-thione
SMILESCCn1ccc(-n2[nH]nnc2=S)n1
InChIInChI=1S/C6H8N6S/c1-2-11-4-3-5(8-11)12-6(13)7-9-10-12/h3-4H,2H2,1H3,(H,7,10,13)
InChIKeyCAWIZBGSLCXTOP-UHFFFAOYSA-N
MW196.24 g/mol
LogP0.54
Rot. Bonds2

About 1-(1-ethylpyrazol-3-yl)-2H-tetrazole-5-thione

1-(1-ethylpyrazol-3-yl)-2H-tetrazole-5-thione (PubChem CID 130495926) has the molecular formula C6H8N6S and a molecular weight of 196.24 g/mol. Its IUPAC name is 1-(1-ethylpyrazol-3-yl)-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-(1-ethylpyrazol-3-yl)-2H-tetrazole-5-thione
PubChem CID130495926
Molecular FormulaC6H8N6S
Molecular Weight196.24 g/mol
Exact Mass196.05
IUPAC Name1-(1-ethylpyrazol-3-yl)-2H-tetrazole-5-thione
SMILESCCn1ccc(-n2[nH]nnc2=S)n1
InChIInChI=1S/C6H8N6S/c1-2-11-4-3-5(8-11)12-6(13)7-9-10-12/h3-4H,2H2,1H3,(H,7,10,13)
InChIKeyCAWIZBGSLCXTOP-UHFFFAOYSA-N
XLogP0.54
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(1-ethylpyrazol-3-yl)-4-methyl-1H-1,2,4-triazole-5-thione
CID 7172342
1-ethyl-3-methylpyrazole
CID 12002774
1-ethyl-3-(1-methylpyrazol-3-yl)pyrazole
CID 175388618
2-[3-(1-ethylpyrazol-3-yl)imidazol-4-yl]-N-methylpropan-2-amine
CID 114250840
3-(1-ethylpyrazol-3-yl)-7-fluoro-1H-benzimidazole-2-thione
CID 114251193
6-chloro-3-(1-ethylpyrazol-3-yl)-1H-benzimidazole-2-thione
CID 114251188
4-(chloromethyl)-1-(1-ethylpyrazol-3-yl)triazole
CID 126975389
[1-(1-ethylpyrazol-3-yl)imidazol-4-yl]methanol
CID 130495834
3-(1-ethylpyrazol-3-yl)-6-methyl-1H-imidazo[4,5-b]pyridine-2-thione
CID 114251189
1-ethyl-2H-tetrazole-5-thione;N-methylmethanamine
CID 22161533
3-(1-ethylpyrazol-3-yl)-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one
CID 114251236
1-(1-ethylpyrazol-3-yl)-2-methylpiperazine
CID 130495987

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpyrazol-3-yl)-2H-tetrazole-5-thione?
The IUPAC name of 1-(1-ethylpyrazol-3-yl)-2H-tetrazole-5-thione (CID 130495926) is 1-(1-ethylpyrazol-3-yl)-2H-tetrazole-5-thione.
What is the SMILES notation for 1-(1-ethylpyrazol-3-yl)-2H-tetrazole-5-thione?
The canonical SMILES for 1-(1-ethylpyrazol-3-yl)-2H-tetrazole-5-thione is CCn1ccc(-n2[nH]nnc2=S)n1.
What is the InChIKey of 1-(1-ethylpyrazol-3-yl)-2H-tetrazole-5-thione?
The InChIKey is CAWIZBGSLCXTOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6S/c1-2-11-4-3-5(8-11)12-6(13)7-9-10-12/h3-4H,2H2,1H3,(H,7,10,13).
What are the key properties of 1-(1-ethylpyrazol-3-yl)-2H-tetrazole-5-thione?
1-(1-ethylpyrazol-3-yl)-2H-tetrazole-5-thione has a molecular weight of 196.24 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpyrazol-3-yl)-2H-tetrazole-5-thione is sourced from PubChem (CID 130495926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).