1-[2-(4-methylpiperazin-1-yl)ethyl]-2H-tetrazole-5-thione

C8H16N6S — CID 12802959

IUPAC1-[2-(4-methylpiperazin-1-yl)ethyl]-2H-tetrazole-5-thione
SMILESCN1CCN(CCn2[nH]nnc2=S)CC1
InChIInChI=1S/C8H16N6S/c1-12-2-4-13(5-3-12)6-7-14-8(15)9-10-11-14/h2-7H2,1H3,(H,9,11,15)
InChIKeyCGALJZZXGUREGS-UHFFFAOYSA-N
MW228.32 g/mol
LogP-0.42
Rot. Bonds3

About 1-[2-(4-methylpiperazin-1-yl)ethyl]-2H-tetrazole-5-thione

1-[2-(4-methylpiperazin-1-yl)ethyl]-2H-tetrazole-5-thione (PubChem CID 12802959) has the molecular formula C8H16N6S and a molecular weight of 228.32 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazin-1-yl)ethyl]-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-[2-(4-methylpiperazin-1-yl)ethyl]-2H-tetrazole-5-thione
PubChem CID12802959
Molecular FormulaC8H16N6S
Molecular Weight228.32 g/mol
Exact Mass228.12
IUPAC Name1-[2-(4-methylpiperazin-1-yl)ethyl]-2H-tetrazole-5-thione
SMILESCN1CCN(CCn2[nH]nnc2=S)CC1
InChIInChI=1S/C8H16N6S/c1-12-2-4-13(5-3-12)6-7-14-8(15)9-10-11-14/h2-7H2,1H3,(H,9,11,15)
InChIKeyCGALJZZXGUREGS-UHFFFAOYSA-N
XLogP-0.42
TPSA52.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.32
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-[3-(4-methyl-1-piperazinyl)propyl]-1H-tetrazole-5-thiol
CID 12802948
1-[2-(4-methyl-1-piperazinyl)ethyl]-1H-tetrazole-5-thiol hydrobromide
CID 12802960
1-[2-(Dipropylamino)ethyl]-1,2-dihydro-5H-tetrazole-5-thione
CID 15051276
trimethyl-[2-(5-sulfanylidene-2H-tetrazol-1-yl)ethyl]azanium
CID 18341861
1-[3-(4-methyl-1-piperazinyl)propyl]-1H-tetrazole-5-thiol.dihydrochloride
CID 20249428
1-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-2H-tetrazole-5-thione;dihydrochloride
CID 20252206
1-[3-(4-propan-2-ylpiperazin-1-yl)propyl]-2H-tetrazole-5-thione
CID 20252207
1-[2-[ethyl(methyl)amino]ethyl]-2H-tetrazole-5-thione
CID 20816741
1-[2-(dibutylamino)ethyl]-2H-tetrazole-5-thione
CID 53855670
1-[2-(dimethylamino)ethyl]-3-methyl-2H-tetrazol-3-ium-5-thione
CID 59950418

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperazin-1-yl)ethyl]-2H-tetrazole-5-thione?
The IUPAC name of 1-[2-(4-methylpiperazin-1-yl)ethyl]-2H-tetrazole-5-thione (CID 12802959) is 1-[2-(4-methylpiperazin-1-yl)ethyl]-2H-tetrazole-5-thione.
What is the SMILES notation for 1-[2-(4-methylpiperazin-1-yl)ethyl]-2H-tetrazole-5-thione?
The canonical SMILES for 1-[2-(4-methylpiperazin-1-yl)ethyl]-2H-tetrazole-5-thione is CN1CCN(CCn2[nH]nnc2=S)CC1.
What is the InChIKey of 1-[2-(4-methylpiperazin-1-yl)ethyl]-2H-tetrazole-5-thione?
The InChIKey is CGALJZZXGUREGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N6S/c1-12-2-4-13(5-3-12)6-7-14-8(15)9-10-11-14/h2-7H2,1H3,(H,9,11,15).
What are the key properties of 1-[2-(4-methylpiperazin-1-yl)ethyl]-2H-tetrazole-5-thione?
1-[2-(4-methylpiperazin-1-yl)ethyl]-2H-tetrazole-5-thione has a molecular weight of 228.32 g/mol, XLogP of -0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperazin-1-yl)ethyl]-2H-tetrazole-5-thione is sourced from PubChem (CID 12802959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).