1-(2-aminobutyl)-2H-tetrazole-5-thione

C5H11N5S — CID 174250795

IUPAC1-(2-aminobutyl)-2H-tetrazole-5-thione
SMILESCCC(N)Cn1[nH]nnc1=S
InChIInChI=1S/C5H11N5S/c1-2-4(6)3-10-5(11)7-8-9-10/h4H,2-3,6H2,1H3,(H,7,9,11)
InChIKeyZHVWJRMXSHSHBY-UHFFFAOYSA-N
MW173.24 g/mol
LogP0.07
Rot. Bonds3

About 1-(2-aminobutyl)-2H-tetrazole-5-thione

1-(2-aminobutyl)-2H-tetrazole-5-thione (PubChem CID 174250795) has the molecular formula C5H11N5S and a molecular weight of 173.24 g/mol. Its IUPAC name is 1-(2-aminobutyl)-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-(2-aminobutyl)-2H-tetrazole-5-thione
PubChem CID174250795
Molecular FormulaC5H11N5S
Molecular Weight173.24 g/mol
Exact Mass173.07
IUPAC Name1-(2-aminobutyl)-2H-tetrazole-5-thione
SMILESCCC(N)Cn1[nH]nnc1=S
InChIInChI=1S/C5H11N5S/c1-2-4(6)3-10-5(11)7-8-9-10/h4H,2-3,6H2,1H3,(H,7,9,11)
InChIKeyZHVWJRMXSHSHBY-UHFFFAOYSA-N
XLogP0.07
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.24
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminobutyl)-2H-tetrazole-5-thione;hydrochloride
CID 20249415
1-(4-aminobutyl)-2H-tetrazole-5-thione
CID 20249416
1-pentan-2-yl-2H-tetrazole-5-thione
CID 20652922
1-(aminomethyl)ethyl-1H-tetrazole-5-thiol hydrochloride
CID 23324133
1-(1-Aminopropan-2-yl)-1,2-dihydro-5H-tetrazole-5-thione
CID 23324134
1-(Butan-2-yl)-1,2-dihydro-5H-tetrazole-5-thione
CID 43149233
1-(3-aminopropyl)-3-methyl-2H-tetrazol-3-ium-5-thione
CID 59950415
1-[2-(dimethylamino)propyl]-2H-tetrazole-5-thione
CID 61880792
1-[2-(methylamino)ethyl]-2H-tetrazole-5-thione
CID 65440082
1-(2-amino-2-methylpropyl)-2H-tetrazole-5-thione
CID 67688733
1-[2-(dimethylamino)butyl]-2H-tetrazole-5-thione
CID 175027590
1-[1-(dimethylamino)butan-2-yl]-2H-tetrazole-5-thione
CID 175027592

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminobutyl)-2H-tetrazole-5-thione?
The IUPAC name of 1-(2-aminobutyl)-2H-tetrazole-5-thione (CID 174250795) is 1-(2-aminobutyl)-2H-tetrazole-5-thione.
What is the SMILES notation for 1-(2-aminobutyl)-2H-tetrazole-5-thione?
The canonical SMILES for 1-(2-aminobutyl)-2H-tetrazole-5-thione is CCC(N)Cn1[nH]nnc1=S.
What is the InChIKey of 1-(2-aminobutyl)-2H-tetrazole-5-thione?
The InChIKey is ZHVWJRMXSHSHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5S/c1-2-4(6)3-10-5(11)7-8-9-10/h4H,2-3,6H2,1H3,(H,7,9,11).
What are the key properties of 1-(2-aminobutyl)-2H-tetrazole-5-thione?
1-(2-aminobutyl)-2H-tetrazole-5-thione has a molecular weight of 173.24 g/mol, XLogP of 0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminobutyl)-2H-tetrazole-5-thione is sourced from PubChem (CID 174250795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).