1-(2-pyrazol-1-ylethyl)-2H-tetrazole-5-thione

C6H8N6S — CID 61460871

IUPAC1-(2-pyrazol-1-ylethyl)-2H-tetrazole-5-thione
SMILESS=c1nn[nH]n1CCn1cccn1
InChIInChI=1S/C6H8N6S/c13-6-8-9-10-12(6)5-4-11-3-1-2-7-11/h1-3H,4-5H2,(H,8,10,13)
InChIKeyDWOVPLBQSNERIP-UHFFFAOYSA-N
MW196.24 g/mol
LogP0.23
Rot. Bonds3

About 1-(2-pyrazol-1-ylethyl)-2H-tetrazole-5-thione

1-(2-pyrazol-1-ylethyl)-2H-tetrazole-5-thione (PubChem CID 61460871) has the molecular formula C6H8N6S and a molecular weight of 196.24 g/mol. Its IUPAC name is 1-(2-pyrazol-1-ylethyl)-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-(2-pyrazol-1-ylethyl)-2H-tetrazole-5-thione
PubChem CID61460871
Molecular FormulaC6H8N6S
Molecular Weight196.24 g/mol
Exact Mass196.05
IUPAC Name1-(2-pyrazol-1-ylethyl)-2H-tetrazole-5-thione
SMILESS=c1nn[nH]n1CCn1cccn1
InChIInChI=1S/C6H8N6S/c13-6-8-9-10-12(6)5-4-11-3-1-2-7-11/h1-3H,4-5H2,(H,8,10,13)
InChIKeyDWOVPLBQSNERIP-UHFFFAOYSA-N
XLogP0.23
TPSA64.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 50.23
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

trimethyl-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]azanium
CID 18341861
1-(3-hydroxypentyl)-2H-tetrazole-5-thione
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1-[2-(1-methylpyrazol-3-yl)ethyl]-2H-tetrazole-5-thione
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1-ethyl-2H-tetrazole-5-thione;N-methylmethanamine
CID 22161533
1-(2-pyrazol-1-ylethyl)piperazine-2,5-dione
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1-(5,5,5-trifluoropentyl)-2H-tetrazole-5-thione
CID 115520989
4-ethyl-3-(2-pyrazol-1-ylethyl)-1H-imidazole-2-thione
CID 81335650
1-prop-2-enyl-2H-tetrazole-5-thione
CID 3036618
1-[3-(4-phenylpiperazin-1-yl)propyl]-2H-tetrazole-5-thione
CID 12802958
N-(2-pyrazol-1-ylethyl)-2H-tetrazol-5-amine
CID 164660933
[1-(2-pyrazol-1-ylethyl)pyrrol-2-yl]methanol
CID 66398040
4-tert-butyl-3-(2-pyrazol-1-ylethyl)-1H-imidazole-2-thione
CID 81335532

Frequently Asked Questions

What is the IUPAC name of 1-(2-pyrazol-1-ylethyl)-2H-tetrazole-5-thione?
The IUPAC name of 1-(2-pyrazol-1-ylethyl)-2H-tetrazole-5-thione (CID 61460871) is 1-(2-pyrazol-1-ylethyl)-2H-tetrazole-5-thione.
What is the SMILES notation for 1-(2-pyrazol-1-ylethyl)-2H-tetrazole-5-thione?
The canonical SMILES for 1-(2-pyrazol-1-ylethyl)-2H-tetrazole-5-thione is S=c1nn[nH]n1CCn1cccn1.
What is the InChIKey of 1-(2-pyrazol-1-ylethyl)-2H-tetrazole-5-thione?
The InChIKey is DWOVPLBQSNERIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6S/c13-6-8-9-10-12(6)5-4-11-3-1-2-7-11/h1-3H,4-5H2,(H,8,10,13).
What are the key properties of 1-(2-pyrazol-1-ylethyl)-2H-tetrazole-5-thione?
1-(2-pyrazol-1-ylethyl)-2H-tetrazole-5-thione has a molecular weight of 196.24 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-pyrazol-1-ylethyl)-2H-tetrazole-5-thione is sourced from PubChem (CID 61460871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).