1-(1-amino-2-methylpropan-2-yl)-2H-tetrazole-5-thione

C5H11N5S — CID 19029903

IUPAC1-(1-amino-2-methylpropan-2-yl)-2H-tetrazole-5-thione
SMILESCC(C)(CN)n1[nH]nnc1=S
InChIInChI=1S/C5H11N5S/c1-5(2,3-6)10-4(11)7-8-9-10/h3,6H2,1-2H3,(H,7,9,11)
InChIKeyZQUCDOUGMXEVLB-UHFFFAOYSA-N
MW173.25 g/mol
LogP0.03
Rot. Bonds2

About 1-(1-amino-2-methylpropan-2-yl)-2H-tetrazole-5-thione

1-(1-amino-2-methylpropan-2-yl)-2H-tetrazole-5-thione (PubChem CID 19029903) has the molecular formula C5H11N5S and a molecular weight of 173.25 g/mol. Its IUPAC name is 1-(1-amino-2-methylpropan-2-yl)-2H-tetrazole-5-thione.

Molecular Properties

Compound Name1-(1-amino-2-methylpropan-2-yl)-2H-tetrazole-5-thione
PubChem CID19029903
Molecular FormulaC5H11N5S
Molecular Weight173.25 g/mol
Exact Mass173.07
IUPAC Name1-(1-amino-2-methylpropan-2-yl)-2H-tetrazole-5-thione
SMILESCC(C)(CN)n1[nH]nnc1=S
InChIInChI=1S/C5H11N5S/c1-5(2,3-6)10-4(11)7-8-9-10/h3,6H2,1-2H3,(H,7,9,11)
InChIKeyZQUCDOUGMXEVLB-UHFFFAOYSA-N
XLogP0.03
TPSA72.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.25
LogP ≤ 50.03
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-(aminomethyl)ethyl-1H-tetrazole-5-thiol hydrochloride
CID 23324133
1-(1-Aminopropan-2-yl)-1,2-dihydro-5H-tetrazole-5-thione
CID 23324134
1-(2-amino-2-methylpropyl)-2H-tetrazole-5-thione
CID 67688733
1-[2-(dimethylamino)-2-methylpropyl]-2H-tetrazole-5-thione
CID 61659392
1-[2-(tert-butylamino)ethyl]-2H-tetrazole-5-thione
CID 65934116
3-tert-butyl-1-ethyl-2H-tetrazol-3-ium-5-thione
CID 129767642

Frequently Asked Questions

What is the IUPAC name of 1-(1-amino-2-methylpropan-2-yl)-2H-tetrazole-5-thione?
The IUPAC name of 1-(1-amino-2-methylpropan-2-yl)-2H-tetrazole-5-thione (CID 19029903) is 1-(1-amino-2-methylpropan-2-yl)-2H-tetrazole-5-thione.
What is the SMILES notation for 1-(1-amino-2-methylpropan-2-yl)-2H-tetrazole-5-thione?
The canonical SMILES for 1-(1-amino-2-methylpropan-2-yl)-2H-tetrazole-5-thione is CC(C)(CN)n1[nH]nnc1=S.
What is the InChIKey of 1-(1-amino-2-methylpropan-2-yl)-2H-tetrazole-5-thione?
The InChIKey is ZQUCDOUGMXEVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5S/c1-5(2,3-6)10-4(11)7-8-9-10/h3,6H2,1-2H3,(H,7,9,11).
What are the key properties of 1-(1-amino-2-methylpropan-2-yl)-2H-tetrazole-5-thione?
1-(1-amino-2-methylpropan-2-yl)-2H-tetrazole-5-thione has a molecular weight of 173.25 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-amino-2-methylpropan-2-yl)-2H-tetrazole-5-thione is sourced from PubChem (CID 19029903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).