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

C8H17N5S — CID 18341684

IUPAC1-[3-(diethylamino)propyl]-2H-tetrazole-5-thione
SMILESCCN(CC)CCCn1[nH]nnc1=S
InChIInChI=1S/C8H17N5S/c1-3-12(4-2)6-5-7-13-8(14)9-10-11-13/h3-7H2,1-2H3,(H,9,11,14)
InChIKeyPCCBZVUCRBNEEB-UHFFFAOYSA-N
MW215.33 g/mol
LogP1.07
Rot. Bonds6

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

1-[3-(diethylamino)propyl]-2H-tetrazole-5-thione (PubChem CID 18341684) has the molecular formula C8H17N5S and a molecular weight of 215.33 g/mol. Its IUPAC name is 1-[3-(diethylamino)propyl]-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-[3-(diethylamino)propyl]-2H-tetrazole-5-thione
PubChem CID18341684
Molecular FormulaC8H17N5S
Molecular Weight215.33 g/mol
Exact Mass215.12
IUPAC Name1-[3-(diethylamino)propyl]-2H-tetrazole-5-thione
SMILESCCN(CC)CCCn1[nH]nnc1=S
InChIInChI=1S/C8H17N5S/c1-3-12(4-2)6-5-7-13-8(14)9-10-11-13/h3-7H2,1-2H3,(H,9,11,14)
InChIKeyPCCBZVUCRBNEEB-UHFFFAOYSA-N
XLogP1.07
TPSA49.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.33
LogP ≤ 51.07
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-Propyl-1H-tetrazole-5-thiol
CID 8831747
1-Butyl-5-mercaptotetrazole
CID 10931710
1-[3-(4-methyl-1-piperazinyl)propyl]-1H-tetrazole-5-thiol
CID 12802948
1-[2-(Dipropylamino)ethyl]-1,2-dihydro-5H-tetrazole-5-thione
CID 15051276
1-[4-(diethylamino)butyl]-2H-tetrazole-5-thione
CID 18341688
1-[4-(dimethylamino)butyl]-2H-tetrazole-5-thione
CID 18341691
1-[3-(Dimethylamino)propyl]-1,2-dihydro-5H-tetrazole-5-thione
CID 19868956
1-[1-(dibutylamino)ethyl]-2H-tetrazole-5-thione
CID 22117036
1-[1-(diethylamino)ethyl]-2H-tetrazole-5-thione
CID 23440554
1-[2-(dibutylamino)ethyl]-2H-tetrazole-5-thione
CID 53855670
1-[3-(diethylamino)propyl]-3-methyl-2H-tetrazol-3-ium-5-thione
CID 59950417
1-[2-(diethylamino)ethyl]-3-methyl-2H-tetrazol-3-ium-5-thione
CID 59950422

Frequently Asked Questions

What is the IUPAC name of 1-[3-(diethylamino)propyl]-2H-tetrazole-5-thione?
The IUPAC name of 1-[3-(diethylamino)propyl]-2H-tetrazole-5-thione (CID 18341684) is 1-[3-(diethylamino)propyl]-2H-tetrazole-5-thione.
What is the SMILES notation for 1-[3-(diethylamino)propyl]-2H-tetrazole-5-thione?
The canonical SMILES for 1-[3-(diethylamino)propyl]-2H-tetrazole-5-thione is CCN(CC)CCCn1[nH]nnc1=S.
What is the InChIKey of 1-[3-(diethylamino)propyl]-2H-tetrazole-5-thione?
The InChIKey is PCCBZVUCRBNEEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17N5S/c1-3-12(4-2)6-5-7-13-8(14)9-10-11-13/h3-7H2,1-2H3,(H,9,11,14).
What are the key properties of 1-[3-(diethylamino)propyl]-2H-tetrazole-5-thione?
1-[3-(diethylamino)propyl]-2H-tetrazole-5-thione has a molecular weight of 215.33 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(diethylamino)propyl]-2H-tetrazole-5-thione is sourced from PubChem (CID 18341684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).