1-[2-(diethylamino)ethyl]-2H-tetrazole-5-thione

C7H15N5S — CID 15051277

IUPAC1-[2-(diethylamino)ethyl]-2H-tetrazole-5-thione
SMILESCCN(CC)CCn1[nH]nnc1=S
InChIInChI=1S/C7H15N5S/c1-3-11(4-2)5-6-12-7(13)8-9-10-12/h3-6H2,1-2H3,(H,8,10,13)
InChIKeyHHNKCWROIOOUOO-UHFFFAOYSA-N
MW201.30 g/mol
LogP0.68
Rot. Bonds5

About 1-[2-(diethylamino)ethyl]-2H-tetrazole-5-thione

1-[2-(diethylamino)ethyl]-2H-tetrazole-5-thione (PubChem CID 15051277) has the molecular formula C7H15N5S and a molecular weight of 201.30 g/mol. Its IUPAC name is 1-[2-(diethylamino)ethyl]-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-[2-(diethylamino)ethyl]-2H-tetrazole-5-thione
PubChem CID15051277
Molecular FormulaC7H15N5S
Molecular Weight201.30 g/mol
Exact Mass201.10
IUPAC Name1-[2-(diethylamino)ethyl]-2H-tetrazole-5-thione
SMILESCCN(CC)CCn1[nH]nnc1=S
InChIInChI=1S/C7H15N5S/c1-3-11(4-2)5-6-12-7(13)8-9-10-12/h3-6H2,1-2H3,(H,8,10,13)
InChIKeyHHNKCWROIOOUOO-UHFFFAOYSA-N
XLogP0.68
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.30
LogP ≤ 50.68
H-Bond Donors ≤ 51
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 1-[2-(diethylamino)ethyl]-2H-tetrazole-5-thione?
The IUPAC name of 1-[2-(diethylamino)ethyl]-2H-tetrazole-5-thione (CID 15051277) is 1-[2-(diethylamino)ethyl]-2H-tetrazole-5-thione.
What is the SMILES notation for 1-[2-(diethylamino)ethyl]-2H-tetrazole-5-thione?
The canonical SMILES for 1-[2-(diethylamino)ethyl]-2H-tetrazole-5-thione is CCN(CC)CCn1[nH]nnc1=S.
What is the InChIKey of 1-[2-(diethylamino)ethyl]-2H-tetrazole-5-thione?
The InChIKey is HHNKCWROIOOUOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5S/c1-3-11(4-2)5-6-12-7(13)8-9-10-12/h3-6H2,1-2H3,(H,8,10,13).
What are the key properties of 1-[2-(diethylamino)ethyl]-2H-tetrazole-5-thione?
1-[2-(diethylamino)ethyl]-2H-tetrazole-5-thione has a molecular weight of 201.30 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)ethyl]-2H-tetrazole-5-thione is sourced from PubChem (CID 15051277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).