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

C9H19N5S — CID 15051276

IUPAC1-[2-(dipropylamino)ethyl]-2H-tetrazole-5-thione
SMILESCCCN(CCC)CCn1[nH]nnc1=S
InChIInChI=1S/C9H19N5S/c1-3-5-13(6-4-2)7-8-14-9(15)10-11-12-14/h3-8H2,1-2H3,(H,10,12,15)
InChIKeyZYJAGNIBRBUHMS-UHFFFAOYSA-N
MW229.35 g/mol
LogP1.46
Rot. Bonds7

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

1-[2-(dipropylamino)ethyl]-2H-tetrazole-5-thione (PubChem CID 15051276) has the molecular formula C9H19N5S and a molecular weight of 229.35 g/mol. Its IUPAC name is 1-[2-(dipropylamino)ethyl]-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-[2-(dipropylamino)ethyl]-2H-tetrazole-5-thione
PubChem CID15051276
Molecular FormulaC9H19N5S
Molecular Weight229.35 g/mol
Exact Mass229.14
IUPAC Name1-[2-(dipropylamino)ethyl]-2H-tetrazole-5-thione
SMILESCCCN(CCC)CCn1[nH]nnc1=S
InChIInChI=1S/C9H19N5S/c1-3-5-13(6-4-2)7-8-14-9(15)10-11-12-14/h3-8H2,1-2H3,(H,10,12,15)
InChIKeyZYJAGNIBRBUHMS-UHFFFAOYSA-N
XLogP1.46
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.35
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2-(dimethylamino)ethyl)-1,2-dihydro-5H-tetrazole-5-thione
CID 3017268
1-[2-(Diethylamino)ethyl]-1,2-dihydro-5H-tetrazole-5-thione
CID 15051277
1-Propyl-1H-tetrazole-5-thiol
CID 8831747
1-[3-(4-methyl-1-piperazinyl)propyl]-1H-tetrazole-5-thiol
CID 12802948
1-[2-(4-methylpiperazin-1-yl)ethyl]-2H-tetrazole-5-thione
CID 12802959
1-[2-(4-methyl-1-piperazinyl)ethyl]-1H-tetrazole-5-thiol hydrobromide
CID 12802960
1-[3-(diethylamino)propyl]-2H-tetrazole-5-thione
CID 18341684
1-[4-(diethylamino)butyl]-2H-tetrazole-5-thione
CID 18341688
1-[4-(dimethylamino)butyl]-2H-tetrazole-5-thione
CID 18341691
trimethyl-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]azanium
CID 18341861
1-[3-(Dimethylamino)propyl]-1,2-dihydro-5H-tetrazole-5-thione
CID 19868956
trimethyl-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]azanium chloride
CID 20086030

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dipropylamino)ethyl]-2H-tetrazole-5-thione?
The IUPAC name of 1-[2-(dipropylamino)ethyl]-2H-tetrazole-5-thione (CID 15051276) is 1-[2-(dipropylamino)ethyl]-2H-tetrazole-5-thione.
What is the SMILES notation for 1-[2-(dipropylamino)ethyl]-2H-tetrazole-5-thione?
The canonical SMILES for 1-[2-(dipropylamino)ethyl]-2H-tetrazole-5-thione is CCCN(CCC)CCn1[nH]nnc1=S.
What is the InChIKey of 1-[2-(dipropylamino)ethyl]-2H-tetrazole-5-thione?
The InChIKey is ZYJAGNIBRBUHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5S/c1-3-5-13(6-4-2)7-8-14-9(15)10-11-12-14/h3-8H2,1-2H3,(H,10,12,15).
What are the key properties of 1-[2-(dipropylamino)ethyl]-2H-tetrazole-5-thione?
1-[2-(dipropylamino)ethyl]-2H-tetrazole-5-thione has a molecular weight of 229.35 g/mol, XLogP of 1.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dipropylamino)ethyl]-2H-tetrazole-5-thione is sourced from PubChem (CID 15051276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).