1-[3-(dimethylamino)propyl]-2H-tetrazole-5-thione

C6H13N5S — CID 19868956

IUPAC1-[3-(dimethylamino)propyl]-2H-tetrazole-5-thione
SMILESCN(C)CCCn1[nH]nnc1=S
InChIInChI=1S/C6H13N5S/c1-10(2)4-3-5-11-6(12)7-8-9-11/h3-5H2,1-2H3,(H,7,9,12)
InChIKeyWFQGISKXSQATIF-UHFFFAOYSA-N
MW187.27 g/mol
LogP0.29
Rot. Bonds4

About 1-[3-(dimethylamino)propyl]-2H-tetrazole-5-thione

1-[3-(dimethylamino)propyl]-2H-tetrazole-5-thione (PubChem CID 19868956) has the molecular formula C6H13N5S and a molecular weight of 187.27 g/mol. Its IUPAC name is 1-[3-(dimethylamino)propyl]-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-[3-(dimethylamino)propyl]-2H-tetrazole-5-thione
PubChem CID19868956
Molecular FormulaC6H13N5S
Molecular Weight187.27 g/mol
Exact Mass187.09
IUPAC Name1-[3-(dimethylamino)propyl]-2H-tetrazole-5-thione
SMILESCN(C)CCCn1[nH]nnc1=S
InChIInChI=1S/C6H13N5S/c1-10(2)4-3-5-11-6(12)7-8-9-11/h3-5H2,1-2H3,(H,7,9,12)
InChIKeyWFQGISKXSQATIF-UHFFFAOYSA-N
XLogP0.29
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.27
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-[3-(dimethylamino)propyl]-2H-tetrazole-5-thione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)propyl]-2H-tetrazole-5-thione?
The IUPAC name of 1-[3-(dimethylamino)propyl]-2H-tetrazole-5-thione (CID 19868956) is 1-[3-(dimethylamino)propyl]-2H-tetrazole-5-thione.
What is the SMILES notation for 1-[3-(dimethylamino)propyl]-2H-tetrazole-5-thione?
The canonical SMILES for 1-[3-(dimethylamino)propyl]-2H-tetrazole-5-thione is CN(C)CCCn1[nH]nnc1=S.
What is the InChIKey of 1-[3-(dimethylamino)propyl]-2H-tetrazole-5-thione?
The InChIKey is WFQGISKXSQATIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5S/c1-10(2)4-3-5-11-6(12)7-8-9-11/h3-5H2,1-2H3,(H,7,9,12).
What are the key properties of 1-[3-(dimethylamino)propyl]-2H-tetrazole-5-thione?
1-[3-(dimethylamino)propyl]-2H-tetrazole-5-thione has a molecular weight of 187.27 g/mol, XLogP of 0.29, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)propyl]-2H-tetrazole-5-thione is sourced from PubChem (CID 19868956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).