1-[1-(dimethylamino)propan-2-yl]-2H-tetrazole-5-thione

C6H13N5S — CID 82949946

IUPAC1-[1-(dimethylamino)propan-2-yl]-2H-tetrazole-5-thione
SMILESCC(CN(C)C)n1[nH]nnc1=S
InChIInChI=1S/C6H13N5S/c1-5(4-10(2)3)11-6(12)7-8-9-11/h5H,4H2,1-3H3,(H,7,9,12)
InChIKeyHUPQUYLYCSAGRV-UHFFFAOYSA-N
MW187.27 g/mol
LogP0.46
Rot. Bonds3

About 1-[1-(dimethylamino)propan-2-yl]-2H-tetrazole-5-thione

1-[1-(dimethylamino)propan-2-yl]-2H-tetrazole-5-thione (PubChem CID 82949946) has the molecular formula C6H13N5S and a molecular weight of 187.27 g/mol. Its IUPAC name is 1-[1-(dimethylamino)propan-2-yl]-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-[1-(dimethylamino)propan-2-yl]-2H-tetrazole-5-thione
PubChem CID82949946
Molecular FormulaC6H13N5S
Molecular Weight187.27 g/mol
Exact Mass187.09
IUPAC Name1-[1-(dimethylamino)propan-2-yl]-2H-tetrazole-5-thione
SMILESCC(CN(C)C)n1[nH]nnc1=S
InChIInChI=1S/C6H13N5S/c1-5(4-10(2)3)11-6(12)7-8-9-11/h5H,4H2,1-3H3,(H,7,9,12)
InChIKeyHUPQUYLYCSAGRV-UHFFFAOYSA-N
XLogP0.46
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 50.46
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-Dihydro-1-(1-methylethyl)-5H-tetrazole-5-thione
CID 7131396
1-[2-(Diethylamino)ethyl]-1,2-dihydro-5H-tetrazole-5-thione
CID 15051277
1-Propyl-1H-tetrazole-5-thiol
CID 8831747
1-Butyl-5-mercaptotetrazole
CID 10931710
1-[2-(Dipropylamino)ethyl]-1,2-dihydro-5H-tetrazole-5-thione
CID 15051276
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
1-pentan-2-yl-2H-tetrazole-5-thione
CID 20652922
1-[2-[ethyl(methyl)amino]ethyl]-2H-tetrazole-5-thione
CID 20816741

Frequently Asked Questions

What is the IUPAC name of 1-[1-(dimethylamino)propan-2-yl]-2H-tetrazole-5-thione?
The IUPAC name of 1-[1-(dimethylamino)propan-2-yl]-2H-tetrazole-5-thione (CID 82949946) is 1-[1-(dimethylamino)propan-2-yl]-2H-tetrazole-5-thione.
What is the SMILES notation for 1-[1-(dimethylamino)propan-2-yl]-2H-tetrazole-5-thione?
The canonical SMILES for 1-[1-(dimethylamino)propan-2-yl]-2H-tetrazole-5-thione is CC(CN(C)C)n1[nH]nnc1=S.
What is the InChIKey of 1-[1-(dimethylamino)propan-2-yl]-2H-tetrazole-5-thione?
The InChIKey is HUPQUYLYCSAGRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5S/c1-5(4-10(2)3)11-6(12)7-8-9-11/h5H,4H2,1-3H3,(H,7,9,12).
What are the key properties of 1-[1-(dimethylamino)propan-2-yl]-2H-tetrazole-5-thione?
1-[1-(dimethylamino)propan-2-yl]-2H-tetrazole-5-thione has a molecular weight of 187.27 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(dimethylamino)propan-2-yl]-2H-tetrazole-5-thione is sourced from PubChem (CID 82949946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).